From owner-structural-nmr@net.bio.net Sun Jun 02 23:00:00 1996 Path: biosci!bcm.tmc.edu!pendragon!news.msfc.nasa.gov!newsfeed.internetmci.com!tank.news.pipex.net!pipex!usenet2.news.uk.psi.net!uknet!uknet!bhamcs!news.ox.ac.uk!topaz!carsten From: Carsten Liess Newsgroups: bionet.structural-nmr Subject: Diffusion measurements in cells Date: Mon, 3 Jun 1996 17:11:36 +0100 Organization: Oxford University Lines: 18 Message-ID: NNTP-Posting-Host: bioch.ox.ac.uk Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Sender: carsten@topaz Dear fellow netters, Recently I started working on cell volume measurements using localised diffusion-weighted 1H STEAM NMR in vitro. The idea is to obtain diffusion coefficients for intracellular metabolites and monitoring these during ischaemia (assuming, of course that the concentration of these metabolites stay constant). Due to cell swelling during ischaemia, one expects an increase in the apparent diffusion coefficent of these metabolites. My question now is whether it is possible to relate the apparent diffusion coefficient to the actual cell volume. I reckon such a relation exists and maybe someone has heard something about it. Any help greatly appreciated. Thanks a lot, Carsten From owner-structural-nmr@net.bio.net Sun Jun 02 23:00:00 1996 Path: biosci!rutgers!uwm.edu!vixen.cso.uiuc.edu!chi-news.cic.net!nntp.coast.net!swidir.switch.ch!swsbe6.switch.ch!scsing.switch.ch!ubaclu.unibas.ch!ubaclu.unibas.ch!nntp Newsgroups: bionet.structural-nmr Subject: NMR Post-doctoral position. Basel, Switzerland Message-ID: <1996Jun3.173633.46565@yogi.urz.unibas.ch> From: andrei Date: 3 Jun 96 17:36:32 MET Organization: Biozentrum - U. Basel Nntp-Posting-Host: skivacation.bioz.unibas.ch X-Mailer: Mozilla 1.1N (Macintosh; I; PPC) MIME-Version: 1.0 X-URL: news:bionet.structural-nmr Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=us-ascii Lines: 51 A postdoctoral position is available immediately in a new NMR lab in the Department of Structural Biology of the Biozentrum-University of Basel. NMR experiments will be carried out on a dedicated 600 MHz Varian Unity-Plus spectrometer, on which our group (3 NMR users) has 30 % measurement time. This instrument is equipped with pulse field gradients, triple resonance probes, and 4 channels for multidimensional heteronuclear experiments. An SGI Crimson, and INDY computer are available for NMR data processing and analysis. The main focus of the group is protein folding and protein dynamics. Successful candidates will be able to choose amongst research projects from the following areas: 1) NMR structure determination. 2) Folding and dynamics of proteins that share an OB-fold structural motif in spite of no sequence homology. 3) Isotopically labeled peptides for NMR studies of peptide-protein complexes. 4) Mutagenesis and protein engineering. Our group works almost exclusively with protein samples enriched with 15N and/or 13C. Interested applicants should thus have extensive experience in programming heteronuclear NMR pulse sequences in a UNIX environment, and strong computational skills. In addition, the successful candidate should be highly motivated, and should have a track-record of original publications. Recent Ph.D.'s are preferred. Interested and qualified applicants should send a C.V. as well as the names and addresses of 3 referees familiar with the applicant's work to: Dr. Andrei T. Alexandrescu Biozentrum University of Basel Klingelbergstrasse 70 Basel/Switzerland CH-4056 Tel: 41-61-267-2091 Fax: 41-61-267-2109 email: alexandrescu@ubaclu.unibas.ch Use of Fax or e-mail will expedite responses to inquiries. From owner-structural-nmr@net.bio.net Sun Jun 02 23:00:00 1996 Newsgroups: bionet.structural-nmr Path: biosci!ns1.faseb.org!lamarck.sura.net!fconvx.ncifcrf.gov!hilton From: hilton@ncifcrf.gov (Bruce Hilton) Subject: operator program Message-ID: Organization: Frederick Cancer Research and Development Center Distribution: usa Date: Mon, 3 Jun 1996 15:13:00 GMT Lines: 23 Does anyone know of a computer program for the calculation of product operators in pulse sequences? I am particularly interested in symbolic manipulations in either cartesian or shift operator bases. I do not have access to the program Mathematica... perhaps I need to get it. Meanwhile I am asking if there is something else out there. Thanks a lot... Bruce Hilton -- *+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++* + Bruce D. Hilton Phone 301-846-1226 bus + + hilton@fconvx.ncifcrf.gov 301-694-6326 home + + fax 301-846-1438 + From owner-structural-nmr@net.bio.net Sun Jun 02 23:00:00 1996 Path: biosci!DONAU.MSI.DE!twein From: twein@DONAU.MSI.DE (Dr. Thomas Wein) Newsgroups: bionet.structural-nmr Subject: unsubscribe Date: 3 Jun 1996 00:52:21 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 6 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net unsubscribe tw%biosym@germany.eu.net From owner-structural-nmr@net.bio.net Sun Jun 02 23:00:00 1996 Path: biosci!KS.UIUC.EDU!feng From: feng@KS.UIUC.EDU (Zhou Feng) Newsgroups: bionet.structural-nmr Subject: Computational biology mailing list Date: 3 Jun 1996 15:28:46 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 9 Sender: daemon@net.bio.net Distribution: world Message-ID: <199606032224.AA125330677@london.ks.uiuc.edu> NNTP-Posting-Host: net.bio.net Can someone kindly tell me how to join the computational \chemistry mailing list? I signed in a few years ago and have signed out a while ago. I couldn't find the email address. Thanks! Feng From owner-structural-nmr@net.bio.net Sun Jun 02 23:00:00 1996 Path: biosci!bcm.tmc.edu!pendragon!news.msfc.nasa.gov!newsfeed.internetmci.com!sgigate.sgi.com!nntp.coast.net!fu-berlin.de!cs.tu-berlin.de!sandmann.prz.tu-berlin.de!kowall From: kowall@sispa.chem.TU-Berlin.de (Martin Kowall) Newsgroups: bionet.structural-nmr Subject: influence of Ammoniumacetat to COSY- and TOCSY-crosspeaks Date: 3 Jun 1996 17:31:54 GMT Organization: PRZ/TU-Berlin Lines: 52 Message-ID: <4ov7ia$s2n@sandmann.prz.tu-berlin.de> NNTP-Posting-Host: sispa.chem.tu-berlin.de X-Newsreader: TIN [version 1.2 PL0] Hallo. Last week I posted this message: : Hallo. : I am a graduate student working on 2D NMR structural studies of : surfactin a cyclic heptapeptid with a beta-hydroxy-fatty acid: : fatty acid-Glu1-Leu2-Leu3-Val4-Asp5-Leu6-Leu7 - lactone bond to fatty acid. : 2D COSY and TOCSY spectra of surfactin show seven clearly separated : NH - C(alpha)H crosspeaks. A surfactin sample which contained some : ammoniumacetat as pollution show an effect I could not explain. : Some crosspeaks show only up to 30 percent loss of signalintensity : due to linebroadening, but other crosspeaks show nearly zero intensity. : COSY spectra show only crosspeaks for Leu2, Asp5 and Leu7; : TOCSY spectra show all seven crosspeaks but the intensity of Glu1, Leu3, Val4 : and Leu6 are much smaller than the intensity of the other 3 aminoacids. : Now I am looking for an explanation of this amino acid specific loss of : crosspeakintensity when ammoniumacetat is present in the NMR sample. I got some replies which suggested that the loss of crosspeak intensity is caused by exchange between amide protons and ammoniumacetat protons. This exchange must be slower for the amino acid 2,5 and 7 than for 1,3,4,6. Here are some more data from my measurements. The NMR samples are disolved in 100% deuterated DMSO. The spectra a measured phase-sensitiv. The 1D spectra of surfactin show 7 amid signals, all with an 3 bond coupling constant between amide and C (alpha)H of 7 Hz. All diagonal and crosspeaks show high intensities in 2D COSY and TOCSY spectra. The 1D spectra of surfactin polluted with ammoniumacetat show very broad signals. The 2D COSY spectra show only diagonal and crosspeaks for Leu2, Asp5 and Leu7. A comparison between 1D rows and columns of the 2D spectra of surfactin and polluted surfactin show: Glu1, Leu3, Val4 and Leu6 lost over 80 percent signalintensity due to the ammoniumacetat, Leu2, Asp5 and Leu7 between 1/2 and 2/3 percent. The 2D TOCSY spectra show all diagonal and crosspeaks and Glu1, Leu3, Val4 and Leu6 lost between 20 and 75 percent signalintensity due to the ammoniumacetat, Leu2, Asp5 and Leu7 between 0 and 20 percent. This suggest that COSY and TOCSY have different sensitivities to protonen exchange. My questions now are: 1. Is this suggestion correct and what is the reason for it? 2. Suggests these data something more? 3. Are there similar finding in the literatur? Thanks, Martin Kowall From owner-structural-nmr@net.bio.net Sun Jun 02 23:00:00 1996 Path: biosci!SASG019.FUELAN.SANDIA.GOV!loup From: loup@SASG019.FUELAN.SANDIA.GOV (Jean-loup Faulon) Newsgroups: bionet.structural-nmr Subject: unsubscribe Date: 3 Jun 1996 10:23:25 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 6 Sender: daemon@net.bio.net Distribution: world Message-ID: References: NNTP-Posting-Host: net.bio.net Please unsubscribe: loup@fuelan.sandia.gov From owner-structural-nmr@net.bio.net Mon Jun 03 23:00:00 1996 Path: biosci!PHOENIX.PRINCETON.EDU!ipelczer From: ipelczer@PHOENIX.PRINCETON.EDU (Istvan Pelczer) Newsgroups: bionet.structural-nmr Subject: Re: influence of Ammoniumacetat to COSY- and TOCSY-crosspeaks Date: 4 Jun 1996 06:32:08 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 82 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <4ov7ia$s2n@sandmann.prz.tu-berlin.de> NNTP-Posting-Host: net.bio.net Hi Martin, Just two quick notes. I doubt that COSY vs. TOCSY would have different sensitivity for the exchange process itself. The difference in cross-peak intensity reduction is likely be caused by the fact that COSY peaks have anti-phase components which TOCSY have in-phase components. Upon line broadening cancellation will take away more intesity for teh COSY peaks than that of the TOCSY. With extended spin-lock time, however, you'll more lose intensity for the TOCSY peaks, too, by relaxation. The other is a question: have you done some temperature dependence studies? All the best, Istvan wwww,wwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwww Istvan Pelczer, Ph.D. Email: ipelczer@princeton.edu Senior NMR Spectroscopist Princeton University Department of Chemistry ph# (609) 258 2342 Frick Laboratory fax# (609) 258 6746 Washington Road Princeton, NJ 08544 On 3 Jun 1996, Martin Kowall wrote: > > Hallo. > Last week I posted this message: > > : Hallo. > : I am a graduate student working on 2D NMR structural studies of > : surfactin a cyclic heptapeptid with a beta-hydroxy-fatty acid: > : fatty acid-Glu1-Leu2-Leu3-Val4-Asp5-Leu6-Leu7 - lactone bond to fatty acid. > : 2D COSY and TOCSY spectra of surfactin show seven clearly separated > : NH - C(alpha)H crosspeaks. A surfactin sample which contained some > : ammoniumacetat as pollution show an effect I could not explain. > : Some crosspeaks show only up to 30 percent loss of signalintensity > : due to linebroadening, but other crosspeaks show nearly zero intensity. > : COSY spectra show only crosspeaks for Leu2, Asp5 and Leu7; > : TOCSY spectra show all seven crosspeaks but the intensity of Glu1, Leu3, Val4 > : and Leu6 are much smaller than the intensity of the other 3 aminoacids. > : Now I am looking for an explanation of this amino acid specific loss of > : crosspeakintensity when ammoniumacetat is present in the NMR sample. > > > I got some replies which suggested that the loss of crosspeak intensity is > caused by exchange between amide protons and ammoniumacetat protons. > This exchange must be slower for the amino acid 2,5 and 7 than for 1,3,4,6. > > Here are some more data from my measurements. > The NMR samples are disolved in 100% deuterated DMSO. The spectra a measured > phase-sensitiv. The 1D spectra of > surfactin show 7 amid signals, all with an 3 bond coupling constant between > amide and C (alpha)H of 7 Hz. All diagonal and crosspeaks show high intensities > in 2D COSY and TOCSY spectra. The 1D spectra of surfactin polluted with > ammoniumacetat show very broad signals. The 2D COSY spectra show only diagonal > and crosspeaks for Leu2, Asp5 and Leu7. A comparison between 1D rows and > columns of the 2D spectra of surfactin and polluted surfactin show: > Glu1, Leu3, Val4 and Leu6 lost over 80 percent signalintensity due to the > ammoniumacetat, Leu2, Asp5 and Leu7 between 1/2 and 2/3 percent. > The 2D TOCSY spectra show all diagonal and crosspeaks and > Glu1, Leu3, Val4 and Leu6 lost between 20 and 75 percent signalintensity > due to the ammoniumacetat, Leu2, Asp5 and Leu7 between 0 and 20 percent. > > This suggest that COSY and TOCSY have different sensitivities to protonen > exchange. > > My questions now are: > > 1. Is this suggestion correct and what is the reason for it? > 2. Suggests these data something more? > 3. Are there similar finding in the literatur? > > Thanks, > > Martin Kowall > > > From owner-structural-nmr@net.bio.net Mon Jun 03 23:00:00 1996 Path: biosci!BIOC01.UTHSCSA.EDU!sudha From: sudha@BIOC01.UTHSCSA.EDU (Sudha Veeraraghavan) Newsgroups: bionet.structural-nmr Subject: 15N-ammonium chloride Date: 4 Jun 1996 14:42:45 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 17 Sender: daemon@net.bio.net Distribution: world Message-ID: <9606042138.AA08160@bioc01.uthscsa.edu> NNTP-Posting-Host: net.bio.net Thanks to those who wrote back regarding my earlier posting about 15N-ammonium chloride. We are closely working with CIL to figure out the problem. --Sudha -- !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Sudha Veeraraghavan sudha@bioc01.uthscsa.edu Department of Biochemistry sveerara@opal.med.tufts.edu Tufts University School of Medicine [Tel] (617) 636-6873 136 Harrison Ave. [Fax] (617) 636-6409 Boston, MA 02111 U.S.A. !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! From owner-structural-nmr@net.bio.net Tue Jun 04 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: thio@johann.chemie.mu-luebeck.de (Thomas Weimar) Newsgroups: bionet.structural-nmr Subject: EGC-2 Date: 5 Jun 1996 17:33:07 +0100 Lines: 212 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <4p4cs3$45c@mserv1.dl.ac.uk> Original-To: str-nmr@dl.ac.uk Dear Glyco-nmr-freaks, as section covener of the NMR-Section of the SECOND ELECTRONIC GLYCOSCIENCE CONFERENCE ***************************************** I want to ask everybody in the 'Glyco-nmr-field' to submit abstracts to me. The deadline for the abstracts is the 15th of June 1996 and final copies of presentations are due for electronic receipt by 15th August 1996. What follows is a brief description of what this electronic conference is all about. ************************************************************ The Second Electronic Glycoscience Conference (EGC-2) will be held on the Internet (the Net) and World Wide Web (the Web) from Sept 9 - 20, 1996 and will follow the same pattern as the first such conference, EGC-1, held in 1995. The conference is sponsored by Chapman & Hall, Eurocarb and Oxford Glycosystems. EGC-2 will be a fully international event open to all members of our scientific community and will cover a broad range of disciplines related to carbohydrate and glycoconjugate molecules including chemical, physical, biological and medical areas using theoretical, experimental and computational approaches. Conference subject areas are: Biological Function of Protein-Linked Glycans; Carbohydrate Biotechnology; Crystallography; General Glycobiology; Glycanalysis; Glycoimmunology; Glycolipids; Glycomedicine; Glycosynthesis; Glycosyltransferases; Lectins; Mass Spectrometry; Molecular Modelling, Design & Informatics; NMR; Polysaccharides and Cellulose; Proteoglycans and Glycosaminoglycans; and Perspectives in the Glycosciences. Each subject area has a section convener who will screen abstracts sent by authors for suitability. Authors can opt to have their presentation in the following categories: - non-permanent presentation like a normal conference poster - refereed presentation which will be considered for publication as a Letter to the Editor in a special issue of Glycoconjugate Journal in 1997. - refereed presentation which will be considered for publication as a full paper in a special issue of Glycoconjugate Journal. Referees will be appointed by the section conveners and the reports will be handled via a Special Editor for Glycoconjugate Journal, in consultation with Harry Schachter and Graham Turner, editors of Glycoconjugate Journal. Presentations must be prepared in Hypertext Markup Language (HTML) with figures in GIF, Rasmol or other Web-compatible formats so that participants can view the papers via the World Wide Web. Aid and consultation will be provided to participants during summer 1996 to help them with their presentation. Further details will be given in the authors' guide accessible via the URL: http://bellatrix.pcl.ox.ac.uk/egc2/ During the conference discussions will take place via the Internet in real-time using a virtual conference centre based on a MOO (multiple-user domain, object oriented) and via Internet-accessible electronic mailing lists. Trial sessions for those not familiar with MOO will be held before the conference. During the conference, a timetable for MOO discussion sessions of each section will be posted. Since these realtime discussions are an integral part of the conference, authors will be expected to attend one for their subject; the right is reserved not to referee submissions by authors who do not attend one of these sessions. The Conference will feature a Virtual Trade Center where commercial vendors, consultants, manufacturers, and contractors will be able to display their goods and services in return for exhibition fees to support conference activities. Any potential advertisers should contact the conference organisers. ******************* DEADLINES AND DATES 1) DO NOW - The Glycoscience Network (TGN) mailing list Conference-related news and announcements will be posted regularly to the TGN mailing list (http://bellatrix.pcl.ox.ac.uk/hypermail/TGN/) and the bionet.glycosci newsgroup (news:bionet.glycosci or http://www.bio.net:80/hypermail/GLYCOSCI/) If you wish to subscribe to the TGN list send the following one line message to majordomo@bellatrix.pcl.ox.ac.uk: subscribe tgn@bellatrix.pcl.ox.ac.uk your_email@address your_name 2) Registration The deadline for registration is Sept 1 1996. Early registration is strongly encouraged to aid the efficient operation of the conference including the establishment of timely access to the conference. If you intend to participate in EGC-2 please use the special registration form accessible via http://bellatrix.pcl.ox.ac.uk/egc2/ which will be available for registration starting April 22. The electronic registration will be used to construct a registrant database for the conference which will generate the conference mailing list and handle assignment of userids and passwords. In addition it is necessary to pay for registration via ordinary means: The conference fee will be 35 pounds sterling (50 US dollars) with a special rate for students of 20 pounds sterling (30 US dollars). A copy of a suitable student identification or a letter from the supervisor will be required to be charged at the lower rate. Cheques or bank orders in pounds or dollars should be made out to Greenlea Communications and mailed to: Dr. Barry Hardy, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, OX1 3QZ, UK Please include your full name, address, phone and fax numbers, and email address in your correspondence. Your conference userid and password will be emailed to you. Payment can also be made by credit card or direct bank transfer. Further information will be provided in June to the TGN and EGC-2 mailing lists. Academic registrants from economically-disadvantaged countries can write to Barry Hardy requesting an exemption to the registration fee. Exemptions will be made on a discretionary basis taking into account the reasons given for the request and will be dependent on suitable funds being available. We will consider economically disadvantaged countries to include those of Eastern Europe, Africa, Central and South America, Indian sub-continent, etc. 3) DEADLINE for receipt of ABSTRACT. The deadline for receipt of presentation abstracts is June 15. Email your abstract directly to the appropriate section convener listed below. Fuller details of the scope of each section will be given in the authors' guide accessible via http://bellatrix.pcl.ox.ac.uk/egc2/ Your abstract should be no longer than 300 words. And remember to state which category of presentation (non-permanent, refereed as letter, refereed as full paper) you wish. If you are unsure as to which section your abstract is suitable for, please e-mail a possible section convener or Iain Wilson (wilson@edv1.boku.ac.at). Section conveners do have the discretion to reject abstracts, ask for revisions to an abstract or to send the abstract to the convener of a more suitable section. 4) DEADLINE for receipt of PRESENTATION The deadline for receipt of papers and posters is August 15. You must deposit your text and graphics files at the conference ftp site. 5) Refereeing Period The refereeing period will commence upon completion of the conference. If you have a presentation at EGC-2 you may be requested to contribute a refereeing evaluation on another conference presentation. Referee reports will be due November 1. After that time, conveners make overall recommendations to be forwarded to a Special Editor of Glycoconjugate Journal. Only presentations will be refereed for which one of the two publication categories has been requested. CONFERENCE ORGANISERS Barry J. Hardy Physical and Theoretical Chemistry Lab Oxford University, Oxford, OX1 3QZ, U.K. Email: barry@bellatrix.pcl.ox.ac.uk http://bellatrix.pcl.ox.ac.uk/people/barry.html Iain Wilson Institut fuer Chemie der Universitaet fuer Bodenkultur Gregor-Mendelstrasse 33 A-1180, Wien, Austria Email: wilson@edv1.boku.ac.at http://www.boku.ac.at/chemie/bc1/staff/iw/iw.html COVENER of the NMR-Section: Thomas Weimar Medizinische Universitaet zu Luebeck, Germany Email: thio@johann.chemie.mu-luebeck.de So I am waiting for abstracts! Ciao, Thomas Weimar /\ /Dr. Thomas Weimar / \ _ / Institute of Chemistry / \ _| |_ / Medical University of Luebeck / \_| o |_/ Ratzeburger Allee 160 / oOOOo 23538 Luebeck | _______ OOOOO ______ | | Tel. x49 451 500 4219 | _______ ______ Fax. x49 451 500 4241 | /C-O\ | |_________ C C______thio@chemie.mu-luebeck.de \C-C/ From owner-structural-nmr@net.bio.net Tue Jun 04 23:00:00 1996 Newsgroups: bionet.structural-nmr Path: biosci!rutgers!uwm.edu!newsfeed.internetmci.com!in1.uu.net!hearst.acc.Virginia.EDU!murdoch!faraday.clas.Virginia.EDU!jj8a From: jj8a@faraday.clas.Virginia.EDU ([31mThe Brewer [37m) Subject: Re: influence of Ammoniumacetat to COSY- and TOCSY-crosspeaks X-Nntp-Posting-Host: faraday.clas.virginia.edu Message-ID: Sender: usenet@murdoch.acc.Virginia.EDU Organization: University of Virginia X-Newsreader: TIN [version 1.2 PL1] References: <4ov7ia$s2n@sandmann.prz.tu-berlin.de> Date: Wed, 5 Jun 1996 11:42:24 GMT Lines: 38 Istvan Pelczer (ipelczer@PHOENIX.PRINCETON.EDU) wrote: : Hi Martin, : Just two quick notes. I doubt that COSY vs. TOCSY would have different : sensitivity for the exchange process itself. The difference in : cross-peak intensity reduction is likely be caused by the fact that COSY : peaks have anti-phase components which TOCSY have in-phase components. : Upon line broadening cancellation will take away more intesity for teh : COSY peaks than that of the TOCSY. With extended spin-lock time, : however, you'll more lose intensity for the TOCSY peaks, too, by relaxation. : The other is a question: have you done some temperature dependence studies? : All the best, : Istvan I would like to discuss Istvan's point a little further. I am still a graduate student and hence some of my questions may be stupid and arguments naive. Istvan pointed out that reduction in COSY peak intensity could be due to antiphase cancellation. It is the origin of the antiphase cancellation, where I like a slightly different idea. I was wondering if the changes in ionic strength could cause structural changes or hydrogen bondings changes, both of which could lead to subtle variations in the elctronic structure and hence the amide-alpha 3JH coupling constants. A much smaller coupling constant can also lead to antiphase cancellation, right? Like I said this might be a naive argument. I have seen the combination of both linebroadening and <5Hz coupling constants working togehter to give really small crosspeaks with small peptides in micelles. Can anyone point me to some references that deal with the effect of ionic changes on both the transverse and longitudinal relaxation rates. It is intutively obvious that higher ionic strengths should enhace the relaxation rates. Cheers Jason From owner-structural-nmr@net.bio.net Tue Jun 04 23:00:00 1996 Path: biosci!MOLE.BIO.CAM.AC.UK!mjh2 From: mjh2@MOLE.BIO.CAM.AC.UK ("Mark J Howard ", Biochemistry) Newsgroups: bionet.structural-nmr Subject: Re: influence of Ammoniumacetat to COSY- and TOCSY-crosspeaks Date: 5 Jun 1996 08:19:12 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 44 Sender: daemon@net.bio.net Distribution: world Message-ID: References: NNTP-Posting-Host: net.bio.net Hello All, I have had a thought on the subject of COSY- and TOCSY-crosspeaks which I would like some feed-back on. I agree with Istvan's point about the intensity differences due to anti-phase vs in-phase components. However, it may be worth some superficial thought into the basic difference between COSY and TOCSY experiments - the method of coherence transfer. As TOCSY transfer is achieved via the strong coupling Hamilitonian using a spin-lock sequence, would anyone like to comment on the following: Since transfer occurs in the TOCSY, then the coupling constants must be of a sufficient magnitude to cause transfer in the COSY, but from the spectra, this appears not to be the case. Therefore, is it possible that invoking the strong coupling Hamiltonian via the Hartmann-Hahn condition (which removes rf and chemical shift interactions) prevents a favourable relaxation pathway which is left open in the COSY experiment as evolution occurs in the COSY in the weak coupling limit. So the difference you observe is due to different relaxation pathways being favourable during the transfer step of each experiment? Any thoughts? Cheers Mark ******************************************************** Mark Howard | Dept. of Biochemistry | University of Cambridge || | Tennis Court Road | || | | Cambridge, UK. || | ||| | | CB2 1QW ____|||||___/\__||||||||___|_|_ Tel: (01223) 333662 Fax: (01223) 333661 E-mail: mjh2@mole.bio.cam.ac.uk ******************************************************** From owner-structural-nmr@net.bio.net Tue Jun 04 23:00:00 1996 Path: biosci!rutgers!uwm.edu!fnnews.fnal.gov!unixhub!news.Stanford.EDU!not-for-mail From: koehler@chem.Stanford.EDU (Michael Frederick Koehler) Newsgroups: bionet.structural-nmr Subject: Still having problems with noise. Date: 5 Jun 1996 14:38:45 -0700 Organization: Stanford University, CA 94305, USA Lines: 48 Message-ID: <4p4up5$10t7@chem.Stanford.EDU> NNTP-Posting-Host: chem.stanford.edu I'd like to thank all of you who responded to my first questions. Unfortunately, my troubles persist. I have tried the following: 1.) multiplying the first point in D1 and D2 by 0.5 result: no visible improvement 2.) downloading and recompiling a newer version of vnmr2felix and using that to transfer my data into Felix format. This had been suggested in VNMR News: 1/25/95: dsp & Data Formats: Although VNMR 5.1 is not yet released, when it is, FIDs which have been processed with "inline DSP" will be in floating-point format, not in integer format. VNMR software can handle this form of FID; other software may not be able to. Thanks to Jack Howarth at the University of Texas, a new version of "vnmr2felix" now in the User Library allows Felix users to be able to access data in this format. This is relevant now, because although the software is not yet released, some of you are using beta test copies, while others of you may get data from an app lab (as part of a demo or ongoing collaborations) which appears in this format, since the app labs are all using VNMR 5.1 beta at this time (although not all data is obtained with DSP; this is a feature which can easily be turned on or off by the user). (This comes from: http://www.nmr.varian.com/products/software/usergroup/news/9501.html#1/25/95 ) I strongly suspect that this is the problem I'm seeing since I acquired with dsp('r') set. However, when I compare the outputs of the new version of vnmr2felix with the old, they are identical (by the unix command cmp). Any suggestions are greatly appreciated. I have placed an image of the noise that I am talking about at: http://www-leland.stanford.edu/~koehler/felix_hates_varian_data Thanks again, Mike From owner-structural-nmr@net.bio.net Tue Jun 04 23:00:00 1996 Path: biosci!rutgers!uwm.edu!lll-winken.llnl.gov!fnnews.fnal.gov!unixhub!news.Stanford.EDU!not-for-mail From: koehler@chem.Stanford.EDU (Michael Frederick Koehler) Newsgroups: bionet.structural-nmr Subject: Re: Still having problems with noise. Date: 5 Jun 1996 15:18:33 -0700 Organization: Stanford University, CA 94305, USA Lines: 8 Message-ID: <4p513p$j2j@chem.Stanford.EDU> References: <4p4up5$10t7@chem.Stanford.EDU> NNTP-Posting-Host: chem.stanford.edu Sorry about the incorrect URL in the last posting. The image of the noise that I am seeing is at: http://www-leland.stanford.edu/~koehler/felix_hates_varian_data.gif Thanks again. Mike From owner-structural-nmr@net.bio.net Wed Jun 05 23:00:00 1996 Path: biosci!bcm.tmc.edu!news.msfc.nasa.gov!elroy.jpl.nasa.gov!swrinde!newsfeed.internetmci.com!chi-news.cic.net!news.uiowa.edu!news.physics.uiowa.edu!newsrelay.iastate.edu!news.iastate.edu!baker From: baker@iastate.edu (Wayne R. Baker) Newsgroups: bionet.structural-nmr Subject: Re: (no subject) Date: 6 Jun 1996 20:26:37 GMT Organization: Biochemistry & Biophysics, Iowa State University Lines: 28 Message-ID: <4p7ett$q48@news.iastate.edu> References: <199606060254.WAA22993@dartvax.dartmouth.edu> NNTP-Posting-Host: pv0a0b.vincent.iastate.edu In bionet.structural-nmr, ERB. wrote : :I would like to determine 2DNMR spectra for a peptide of about 25-30 :amino acids. Iam completely new to the field and would like to know how :long such a task might take? A rough idea (months, years, centuries) is :all I need. For starters, you'll need a pretty healthy chunk of peptide to do NMR, 10 mgs would be a good start. Assuming it behaves well and you can find reasonable solution conditions, the acquisition of the data is the trivial time component. 2D experiments take anywhere for a couple of hours to a day. Analyzing the data is the tough part and there isn't really any way to tell how long it would take to get a structure, assuming your peptide has one. It also depends on the level of expertise available to you. If you have someone there who has done things like this before, it will go faster. If you're going at it alone, I'm afraid you probably won't get much except a massive headache. It also depends on other factors such as your ability to get N15 and/or C13 into the peptide and its sequence (lots of redundancy makes things worse). The most important factor is how your protein behaves. It may be quick and you can get a structure in a matter of months; it may be 'undo-able.' Welcome to the world of NMR. :-) -- Wayne Baker (baker@iastate.edu) Maybe a great magnet pulls Biochemistry & Biophysics All souls towards truth Iowa State University -- k. d. lang, "Constant Craving" From owner-structural-nmr@net.bio.net Wed Jun 05 23:00:00 1996 Path: biosci!bcm.tmc.edu!news.msfc.nasa.gov!elroy.jpl.nasa.gov!swrinde!sgigate.sgi.com!rutgers!uwm.edu!news.cse.psu.edu!news.cc.swarthmore.edu!netnews.upenn.edu!rams From: rams@pine.chem.upenn.edu (Ayyalusamy Rams) Newsgroups: bionet.structural-nmr Subject: "Post-doctoral position available" Date: 6 Jun 1996 19:48:40 GMT Organization: Department of Chemistry, University of Pennsylvania Lines: 44 Message-ID: <4p7cmo$4hs@netnews.upenn.edu> NNTP-Posting-Host: pine.chem.upenn.edu POSTDOCTORAL POSITION ********************* We are looking for a post-doctoral fellow to study the structural biology of membrane-bound peptides and proteins (1,2) in the Department of Chemistry and Biophysics Research Division at the University of Michigan, Ann Arbor, Michigan, U.S.A. We are particularly interested in identifying a candidate with expertise on peptide synthesis through an automated solid-phase peptide synthesizer, HPLC, molecular biology of membrane proteins, multi-dimensional high resolution solution NMR of macromolecules, EPR, CD, molecular dynamics, FTIR, computation, and solid-state NMR. The position is available in the fall of 1996. The department has 200, 300, 360, & 500 MHz NMR spectrometers, FTIR, CD, spectrophotometers, peptide synthesizer, HPLC, EPR (Q band), Raman, several Silicon Graphics computers, and facilities for molecular biology work (including gene cloning, protein expression, isolation and purification). Solid-state NMR 400 MHz spectrometer will be installed soon. Application including CV, a list of publications, and two reference letters should be sent to the following address before July 15, 1996. A. Ramamoorthy e.mail: rams@chestnut.chem.upenn.edu 231 South 34th Street Department of Chemistry Tel: (215)898-8301 University of Pennsylvania Fax: (215)573-3899 Philadelphia, 19104. ********************************************************************* Related research papers: ----------------------- 1. A. Ramamoorthy, F. M. Marassi, M. Zasloff, and S. J. Opella, J. Biomol. NMR. vol. 6, p: 329-334 (1995). 2. S. J. Opella, Y. Kim, and P. McDonnell, Meth. in Enzymol. vol. 239, p: 536-560 (1994). 3. S. O. Smith and O. B. Peersen, Ann. Rev. Biophys. Biomol. Str. vol. 21, p: 25-47 (1992). ********************************************************************* From owner-structural-nmr@net.bio.net Wed Jun 05 23:00:00 1996 Path: biosci!LYOTROPE.PHOL.CWRU.EDU!chuck From: chuck@LYOTROPE.PHOL.CWRU.EDU ("Chuck Sanders") Newsgroups: bionet.structural-nmr Subject: US/OH Postdoctoral/Technical Position in Bio-Liquid Crystals Date: 6 Jun 1996 13:44:23 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 24 Sender: daemon@net.bio.net Distribution: world Message-ID: <9606061638.ZM12137@lyotrope.PHOL.CWRU.Edu> NNTP-Posting-Host: net.bio.net Informal Position Announcement: Biological Liquid Crystalline Design and Characterization An NSF-funded position is available for work involving the chemical synthesis, NMR spectroscopic and biological characterization of a novel class of liquid crystals specificially designed for use as biological membrane- mimetic media in which to subject membrane proteins to structural study by oriented sample NMR. This represents a continuation of work described in Biochem. 34, 4030-4040 (1995). BOTH TECHNICAL LEVEL (B.S. or M.S.) AND POSTDOCTORAL CANDIDATES WILL BE CONSIDERED. Ideal candidates would have some experience in organic synthesis and an interest in biochemistry. Interested candidates should be available to start between 7/1/96 and 10/31/96 and should contact: Charles Sanders, Asst. Professor Dept. of Physiology and Biophysics Case Western Reserve University Cleveland, Ohio 44106-4970 phone: 216-368-8651 fax: 216-368-1693 e. mail crs4@po.cwru.edu From owner-structural-nmr@net.bio.net Wed Jun 05 23:00:00 1996 Path: biosci!CHEM.ROCHESTER.EDU!Krugh From: Krugh@CHEM.ROCHESTER.EDU (Thomas R. Krugh) Newsgroups: bionet.structural-nmr Subject: NMR Post-doctoral position (Rochester) Date: 6 Jun 1996 12:38:48 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 44 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net I have a postdoctoral position available beginning July 1 which will involve NMR-based structure determination of modified DNA oligomers, such as aminofluorene modified DNA oligomer duplexes, and duplexes containing thymine dimers. RNA hairpins are being studied in collaboration with Professor Douglas Turner. If you are interested in this position, please forward a CV to me at the address below (or via E-mail), and arrange for three letters of reference to be sent on your behalf. Thomas R. Krugh Recent references include: Structural Features of a Six Nucleotide RNA Hairpin Loop Found in Ribosomal RNA, Matthew A. Fountain, Martin J. Serra, Thomas R. Krugh, and Douglas H. Turner, Biochemistry, 35, 6539-6548 (1996). Structural Characterization of a (+)-trans-anti-Benzo[a]pyrene-DNA Adduct using NMR, Restrained Energy Minimization, and Molecular Dynamics, Matthew A. Fountain and Thomas R. Krugh, Biochemistry, 34, 3152-3161 (1995). Structural Characterization of Two Interchangeable Conformations of an N-2-Aminofluorene Modified DNA Oligomer by NMR and Energy Minimization, Linda M. Eckel and Thomas R. Krugh, Biochemistry, 33, 13611-13624 (1994). Drug-DNA Interactions, Thomas R. Krugh, Current Opinions in Structural Biology, 4, 351-364 (1994) 2-Aminofluorene Modified DNA Duplex Exists in Two Interchangeable Conformations, Linda M. Eckel and Thomas R. Krugh, Nature, Structural Biology 1, 89-94 (1994). _________________________________________________________________________ Thomas R. Krugh Krugh@chem.rochester.edu Department of Chemistry Phone: (716) 275-4224 University of Rochester FAX: (716) 473-6889 Rochester, NY 14627 _________________________________________________________________________ From owner-structural-nmr@net.bio.net Wed Jun 05 23:00:00 1996 Path: biosci!bcm.tmc.edu!cs.utexas.edu!howland.reston.ans.net!nntp.coast.net!oleane!jussieu.fr!univ-lyon1.fr!newsserver.cilea.it!news.unige.it!news From: Giuseppe Nicastro Newsgroups: bionet.structural-nmr Subject: NMR risks! Date: Thu, 06 Jun 1996 15:05:18 +0200 Organization: Univ. of Genoa, Italy Lines: 8 Message-ID: <31B6D78E.41C6@ibf.unige.it> NNTP-Posting-Host: eva.ibf.unige.it Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 2.01 (X11; I; IRIX 5.2 IP17) To anyone who can help me has anybody any information about biological effects of static magnetic fields (1-3 Gauss) on cell populations ? Thanks. beppe@ibf.unige.it From owner-structural-nmr@net.bio.net Wed Jun 05 23:00:00 1996 Path: biosci!khepera.com!eblyden From: eblyden@khepera.com ("ERB.") Newsgroups: bionet.structural-nmr Subject: (no subject) Date: 5 Jun 1996 19:57:58 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 10 Sender: daemon@net.bio.net Distribution: world Message-ID: <199606060254.WAA22993@dartvax.dartmouth.edu> NNTP-Posting-Host: net.bio.net Hello everyone! I would like to determine 2DNMR spectra for a peptide of about 25-30 amino acids. Iam completely new to the field and would like to know how long such a task might take? A rough idea (months, years, centuries) is all I need. Eluem Blyden From owner-structural-nmr@net.bio.net Wed Jun 05 23:00:00 1996 Path: biosci!rutgers!uwm.edu!vixen.cso.uiuc.edu!newsfeed.internetmci.com!newshub.csu.net!bobcat.csusm.edu!usenet From: Michael Schmidt Newsgroups: bionet.structural-nmr Subject: Non-ferrous hoist? Date: Fri, 07 Jun 1996 12:45:20 +0000 Lines: 9 Message-ID: <31B82460.1052@coyote.csusm.edu> NNTP-Posting-Host: m_schmidt.csusm.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 2.0 (Macintosh; I; PPC) I apologize for bothering you with this post. We are planning to move a Bruker 300 MHz dewar in the near future. We know that a similar dewar was moved at Scripps Institute of Oceanography without quenching; they used an aluminum hoist and moved the magnet very slowly. Scripps has scrapped their aluminum hoist--does anyone else (in the Western US) have one we could borrow to move our NMR? Considering the cost of quenching and powering up the magnet and/or building an aluminum hoist, we are willing to invest a fair amount for transportation of an existing hoist. From owner-structural-nmr@net.bio.net Wed Jun 05 23:00:00 1996 Path: biosci!LYOTROPE.PHOL.CWRU.EDU!chuck From: chuck@LYOTROPE.PHOL.CWRU.EDU ("Chuck Sanders") Newsgroups: bionet.structural-nmr Subject: PFG-Diffusion Experiment Coded for Varian UnityPlus? Date: 6 Jun 1996 14:41:52 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 12 Sender: daemon@net.bio.net Distribution: world Message-ID: <9606061736.ZM12739@lyotrope.PHOL.CWRU.Edu> NNTP-Posting-Host: net.bio.net Has anyone got a correctly working version of a PFG-based pulse program for measuring self-diffusion coefficients using a Varian UnityPlus system? Varian has a macro for doing the data analysis but, remarkably, does not have an actual pulse sequence available (this was confirmed by direct contact with Varian). We've tried to code a sequence ourselves, but get weird results. We don't know if it's the machine or our program and the quickest way to find out would be to use a version known to work by someone else. Thanks! Chuck Sanders Dept. of Physiology and Biophysics CWRU Cleveland, Ohio From owner-structural-nmr@net.bio.net Thu Jun 06 23:00:00 1996 Path: biosci!BIOC01.UTHSCSA.EDU!sudha From: sudha@BIOC01.UTHSCSA.EDU (Sudha Veeraraghavan) Newsgroups: bionet.structural-nmr Subject: 15N-ammonium chloride Date: 6 Jun 1996 19:12:50 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 25 Sender: daemon@net.bio.net Distribution: world Message-ID: <9606070208.AA10058@bioc01.uthscsa.edu> NNTP-Posting-Host: net.bio.net Dear NMRists, The one batch of 15N-ammonium chloride that did not show the ~80 Hz splitting in acidified water did indeed show the splitting in acidified DMSO. This indicates to us that the sample at hand was 15N-labeled ammonium chloride after all. It is still not clear why one batch showed the splitting in acidified water (pH almost exactly the same as other) but not the other. In any case, this result agrees with the data provided by CIL and we are happy with the support from CIL regarding the matter. No surprise then, we are about to place a large order of a 13C-labeled compound from CIL. Once again, thanks to all those who responded. --Sudha V. !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Sudha Veeraraghavan sudha@bioc01.uthscsa.edu Department of Biochemistry sveerara@opal.med.tufts.edu Tufts University School of Medicine [Tel] (617) 636-6873 136 Harrison Ave. [Fax] (617) 636-6409 Boston, MA 02111 U.S.A. !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! From owner-structural-nmr@net.bio.net Sat Jun 08 23:00:00 1996 Path: biosci!rutgers!uwm.edu!chi-news.cic.net!newsfeed.internetmci.com!news-feed.iguide.com!news.delphi.com!news2.delphi.com!not-for-mail From: HOWELLP@news.delphi.com (HOWELLP@DELPHI.COM) Newsgroups: bionet.structural-nmr Subject: LC-NMR or SFC-NMR Date: 9 Jun 1996 18:59:18 -0400 Organization: Delphi Internet Services Corporation Lines: 8 Message-ID: <4pfl06$daa@news2.delphi.com> NNTP-Posting-Host: news2.delphi.com Can anyone direct me to current research in the fields above? At least is there anything going on in the US? Thanks PEter Howell howellp@delphi.com From owner-structural-nmr@net.bio.net Sun Jun 09 23:00:00 1996 Path: biosci!PHOENIX.PRINCETON.EDU!ipelczer From: ipelczer@PHOENIX.PRINCETON.EDU (Istvan Pelczer) Newsgroups: bionet.structural-nmr Subject: Re: LC-NMR or SFC-NMR Date: 10 Jun 1996 12:33:11 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 31 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <4pfl06$daa@news2.delphi.com> NNTP-Posting-Host: net.bio.net I bet that both Varian and Bruker will be more than happy to send you a bunch of broschures and a collection of current references. There are quite a number of them out there now. All the best, Istvan wwww,wwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwww Istvan Pelczer, Ph.D. Email: ipelczer@princeton.edu Senior NMR Spectroscopist Princeton University Department of Chemistry ph# (609) 258 2342 Frick Laboratory fax# (609) 258 6746 Washington Road Princeton, NJ 08544 On 9 Jun 1996 HOWELLP@news1.delphi.com wrote: > Can anyone direct me to current research in the fields above? At least > is there anything going on in the US? > > Thanks > > PEter Howell > howellp@delphi.com > > > From owner-structural-nmr@net.bio.net Mon Jun 10 23:00:00 1996 Path: biosci!daresbury!nntp-trd.UNINETT.no!Norway.EU.net!EU.net!howland.reston.ans.net!surfnet.nl!news.a1.nl!news From: a.peters@a1.nl (A.R. (Tom) Peters) Newsgroups: bionet.structural-nmr Subject: Re: NMR risks! Date: Tue, 11 Jun 1996 16:05:33 GMT Organization: A1 De Internet Provider uit Twente BV Lines: 12 Message-ID: <4pk590$20l@a3.a1.nl> References: <31B6D78E.41C6@ibf.unige.it> NNTP-Posting-Host: 194.151.42.203 X-Newsreader: Forte Free Agent 1.0.82 Giuseppe Nicastro wrote: >has anybody any information about biological effects of static magnetic >fields (1-3 Gauss) on cell populations ? 3G is ridiculously small. 1.5 T (15.000G) used with clinical MRI scanners is considered safe. As I recall, some effects have been speculated upon such as changes in cell membranes and orientation of red blood cells (not necessarily harmful), but nothing conclusive. I don't have any references at hand, sorry. Tom Peters (NMR spectroscopist) From owner-structural-nmr@net.bio.net Mon Jun 10 23:00:00 1996 Path: biosci!NMRSGI2.NCIFCRF.GOV!rabyrd From: rabyrd@NMRSGI2.NCIFCRF.GOV (R. Andrew Byrd) Newsgroups: bionet.structural-nmr Subject: XVIIth ICMRBS Date: 11 Jun 1996 09:29:40 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 44 Sender: daemon@net.bio.net Distribution: world Message-ID: <199606111619.MAA01707@nmrsgi2.ncifcrf.gov> NNTP-Posting-Host: net.bio.net REMINDER: DEADLINE FOR REGISTRATION JUNE 21ST, 1996 The XVIIth International Conference on Magnetic Resonance in Biological Systems will be held August 18-23, 1996 in Keystone, Colorado The deadline for registration is June 21st. After this date, registrations will be accepted on a space available basis; however, the cost of late registration rises to $400 (USD). We have an exciting program, covering the full range of biological applications of magnetic resonance. A large number of poster abstracts have been submitted and will be presented in three sessions during the conference. ************************************************************** You can view the detailed speaker's program at our web site: http://nmrsgi1.ncifcrf.gov/icmrbsxvii/ The complete program, including posters, will be available at the web site in July. ************************************************************** Another feature of our web site is a bulletin board to help participants locate others to share transportation and lodging. Although there was a problem with this system earlier, it is working well now. Please use this to establish contact with others and help reduce the cost of attending the meeting. Please plan to join us for an exciting meeting and take in the cool rockies in the heat of summer! Andy Byrd Co-chair, XVIIth ICMRBS ------------------ Dr. R. Andrew Byrd Macromolecular NMR/MSL/ABL TEL: 301-846-1407 FAX: 301-846-6195 From owner-structural-nmr@net.bio.net Mon Jun 10 23:00:00 1996 Path: biosci!bcm.tmc.edu!pendragon!news.msfc.nasa.gov!elroy.jpl.nasa.gov!swrinde!tank.news.pipex.net!pipex!oleane!in2p3.fr!swidir.switch.ch!scsing.switch.ch!news.belwue.de!news.dfn.de!news.embl-heidelberg.de!starks From: starks@EMBL-Heidelberg.DE (David Starks-Browning) Newsgroups: bionet.biophysics,bionet.molbio,bionet.mol-model,bionet.structural-nmr,bionet.virology,bionet.xtallography Subject: Parallel Programming Course Announcement Date: 11 Jun 1996 15:14:32 GMT Organization: European Molecular Biology Laboratory - Heidelberg Lines: 53 Sender: starks@emu.EMBL-Heidelberg.DE (David Starks-Browning) Distribution: world Message-ID: <4pk2go$1s6@lion.embl-heidelberg.de> Reply-To: David.Starks-Browning@EMBL-Heidelberg.DE NNTP-Posting-Host: emu.embl-heidelberg.de X-newsreader: xrn 8.00 Xref: biosci bionet.biophysics:2097 bionet.structural-nmr:1334 bionet.virology:7252 bionet.xtallography:2650 [Please post and distribute.] As part of the Supercomputing Resource for Molecular Biology programme, the European Molecular Biology Laboratory in Heidelberg is offering training courses in Parallel Programming and High Performance Computing to European researchers in molecular biology. Participants will receive instruction in writing message passing and data parallel programs using PVM, MPI and Fortran90/HPF. General tuning and performance optimization techniques, suitable for today's high performance RISC microprocessors, will also be covered. All topics are complemented by hands-on training sessions, using the parallel supercomputer facilities at EMBL-Heidelberg. This course is open to European Molecular Biologists at the advanced post-graduate level with research interests in sequence analysis, image processing, structural refinement, protein design and molecular dynamics. Visitors from EU and associated countries will have travel and accomodation expenses funded by an EU HCM/ALSI grant. Visitors from other EMBL member states will be supported by funds from EMBL. The next course is scheduled for the week of 01 - 07 September 1996. There is a limited number of openings. Applications should be received no later than Monday 15 July 1996. For information and an application form, visit our web page at For more information about the Supercomputing Resource for Molecular Biology programme, visit the SRMB web page at Or contact us at: SRMB Secretary Biological Structures and Biocomputing Programme European Molecular Biology Laboratory Postfach 10.2209 D-69012 Heidelberg Germany Phone: +49 6221 387 271 Fax: +49 6221 387 306 Email: SRMBadmin@EMBL-Heidelberg.de From owner-structural-nmr@net.bio.net Mon Jun 10 23:00:00 1996 Path: biosci!LCPM.ENSIC.U-NANCY.FR!mariec From: mariec@LCPM.ENSIC.U-NANCY.FR (Marie Christine PETIT) Newsgroups: bionet.structural-nmr Subject: (none) Date: 10 Jun 1996 23:47:07 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 3 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net SUBSCRIBE From owner-structural-nmr@net.bio.net Mon Jun 10 23:00:00 1996 Path: biosci!BIBA.MED.TUFTS.EDU!sudha From: sudha@BIBA.MED.TUFTS.EDU ("Sudha Veeraraghavan") Newsgroups: bionet.structural-nmr Subject: 15N-ammonium chloride Date: 11 Jun 1996 13:02:11 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 35 Sender: daemon@net.bio.net Distribution: world Message-ID: <9606111555.ZM16891@biba.med.tufts.edu> NNTP-Posting-Host: net.bio.net Dear NMRists, Those of you who may be concerned about products sold by CIL should know that the 15N-ammonium chloride we purchased from CIL is enriched with 15N isotope. We were concerned since our protein sample did not seem to have sufficient 15N-enrichment. Although we do not know the reason for this, we do know that the mass spec and NMR spectra provided by CIL show that the ammonium chloride was indeed enriched with 15N, and that the labeling problem with the protein is not attributable to the CIL product. We hope that no negative impression was cast on CIL's high quality reputation in the NMR community. We are now very happy with CIL's response. Also, as mentioned in the previous postings, we have purchased products from CIL in the past with no problems, and continue to do so with no reservations. --Sudha V. -- _______________________________________________________________________________ ******************************************************************************* !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Sudha Veeraraghavan, Ph.D. Phone: (617) 636-6873 Department of Biochemistry MV605 Fax : (617) 636-6409 Tufts Univ. Sch. Medicine 136 Harrison Ave. E-mail: sudha@biba.med.tufts.edu Boston, MA 02111 sveerara@opal.tufts.edu !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ******************************************************************************* _______________________________________________________________________________ From owner-structural-nmr@net.bio.net Wed Jun 12 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: nmrorg@bellatrix.pcl.ox.ac.uk (nmrorg) Newsgroups: bionet.structural-nmr Subject: NMR EPS-2: Opening Monday June 17 Date: 13 Jun 1996 02:29:45 +0100 Lines: 287 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <4pnqu9$3na@mserv1.dl.ac.uk> Original-To: str-nmr@dl.ac.uk Note: NMR EPS-2 opens on Monday June 17. Please register soon if you wish to participate. Late poster entries may still be accepted. NMR EPS-2: SECOND ELECTRONIC NMR POSTER SESSION Following up on last year's First Electronic Nuclear Magnetic Resonance (NMR) Poster session, a Second Electronic Poster Session on NMR (NMR EPS-2) is being held from June 17 to June 21 1996. The event is sponsored by Elsevier and Greenlea Communications. (The First Electronic NMR Poster session can be viewed at http://bellatrix.pcl.ox.ac.uk/nmr/poster.html or mirror sites listed there; the event was voted a "The Best of the Web 1995" event on the "Chemistry on the Internet" page at the Imperial College site at: http://www.ch.ic.ac.uk/infobahn/boc.html) NMR EPS-2 participants can mount an NMR-related poster on the World Wide Web and engage in interactive discussions on the poster material and current NMR technology during the week. The discussions will be based on a hypermailing list and an interactive MOO (Multiple User Domain, Object Oriented) environment. Conference material will be mirrored at four sites in the UK, North America, Sweden, and Australia. The registration facility for NMR EPS-2 is open at: http://bellatrix.pcl.ox.ac.uk/nmr96/ A registration form is located there which needs to be filled out by registrants in order to receive a userid and password to be used to access the event. A mailing list (nmrlist@bellatrix.pcl.ox.ac.uk) has been formed to provide relevant updates and information between now and the event. If you wish to subscribe to this list simply email nmrlist@bellatrix.pcl.ox.ac.uk with the following one line request: subscribe nmrlist@bellatrix.pcl.ox.ac.uk your_email@address Summary of Posters Received so far: (Note: We may be able to consider late additions if you can send the following information to nmrorg@bellatrix.pcl.ox.ac.uk: 1) The Web site location (URL) where you will serve your poster. 2) Your email address for correspondence. 3) Your abstract stating title, list of authors, institutions, and mailing address.) 1. Title: gs-SELTRIP Authors: Ronald Wagner and Stefan Berger Institution: Department of Chemistry, Philipps-University, Hans-Meerwein-Str., D-35032 Marburg, Germany 2. Title: gs-HSQC-NOESY - Discrimination of Equivalent Protons Authors: Ronald Wagner and Stefan Berger Institution: Department of Chemistry, Philipps-University, Hans-Meerwein-Str., D-35032 Marburg, Germany 3. Title: Internal protein dynamics in solid state and solution - Low field 1H NMR relaxation study. Authors: Alexey G. Krushelnistky and Vladimir D. Fedotov Institution: Kazan Institute of Biology, Russian Academy of Sciences, Kazan, 420503, P.O.Box 30, Russia 4. Title: Miniature Birdcage Resonators for High Field NMR Microscopy Authors: Wolfgang U. Roffmann, Stuart Crozier, Kurt Luescher and David M. Doddrell Institution: Centre for Magnetic Resonance, University of Queensland, St. Lucia, Qld, 4072, Australia 5. Title: Visualisation of B1 Inhomogeneity by MRI Flip Angle Dependency Authors: Fernando O. Zelaya, Wolfgang U. Roffmann, Stuart Crozier, Simon Teed and David M. Doddrell Institution: Centre for Magnetic Resonance, University of Queensland, St. Lucia, Qld, 4072, Australia 6. Title: Design of Shielded Planar Gradients Coils for Minimum Energy Authors: Stephen J. Dodd, Stuart Crozier, SimonTeed, Wolfgang U. Roffmann and David M. Doddrell Institution: Centre for Magnetic Resonance, University of Queensland, St. Lucia, Qld, 4072, Australia 7. Title: Improvement of the Sampling and Convergence Properties of Embedding Distance Geometry by Genetic Algorithms Authors: Antoine H.C. van Kampen (1), Lutgarde M.C. Buydens (1), Carlos. B. Lucasius (2) and Marcel J.J. Blommers (3) Institution: (1) Lab. for Analytical Chemistry, University of Nijmegen 6525 ED Nijmegen, The Netherlands (2) 4727 Sheppard Avenue East, Suite #211, Scarborough, Ontario, M1S 5B3, Canada (3) Department of Physics, Ciba Geig AG, P.O. Box CH-4002 Basel, Switzerland 8. Title: Temperature effects in RR and MAS NMR of DMPC Authors: M. Groesbeek (1), W. Guo (2), J. Hamilton (2) and S.O. Smith (1) Institution: (1) Department of Molecular Biophysics and Biochemistry, PO Box 8114, Yale, University, New Haven, CT 06520, USA (2) Department of Biophysics, Boston University, Boston, MA 02118, USA 9. Title: Unusual "Magic Angle" Effect in Human Cartilage - Explanation of Discrepancies in MR Appearance Authors: Vladimir Mlynarik (1)(3), Renato Toffanin (1) and Franco Vittur (2) Institution: (1) POLY-bios Research Center, Area Science Park, Padriciano 99, I-34012 Trieste, Italy (2) Department of Biochemistry, Biophysics and Macromolecular Chemistry, University of Trieste, Trieste, Italy (3) Magnetic Resonance Center, Derer Hospital, Bratislava, Slovakia 10. Title: 13C CPMAS Solid-state NMR of soil organic matter Authors: Philip Clarke and J. Malcolm Oades Institution: University of Adelaide, Waite campus, PMB 1, Glen Osmond, South Australia, 5064 Australia 11. Title: A C-13 NMR study of carbon metabolism in several acetogenic bacteria Authors: Marielle Lelait and Jean-Philippe Grivet Institution: Centre de Biophysique Moleculaire, CNRS and Universite d'Orleans, rue Charles Sadron, F-45071 Orleans cedex, France 12. Title: New solvent systems for 31P NMR analysis of phospholipids: application to 2D 1h-31P GE-HQMC experiments Authors: Nicola Culeddu (1), Marco Bosco (2), Alberto Radoicovich (2), Piero Pollesello (3) and Renato Toffanin (2) Institution: (1) CNR-IATCAPA, Via Vienna 2, I-07100 Sassari, Italy (2) POLYbios & POLYtech scrl, Area Science Park, Padriciano 99, I-34012 Trieste, Italy (3) Molecular Research Department, Orion-Farmos, Orion Corporation, P.O. box 65, FIN-02101 Espoo, Finland 13. Title: NMR Studies of the trpRs Operator in Complex with the trp Holorepressor Authors: Paul D. Evans, Mahesh Jaseja, Mark Jeeves and Eva I. Hyde Institution: School of Biochemistry, Univ. of Birmingham, Edgbaston, Birmingham B15 2TT, UK 14. Title: NMR and ESR in Germany - presented in the World Wide Web Authors: E.T.K. Haupt Institution: Institut fuer Anorganische und Angewandte Chemie Universitaet Hamburg, Martin-Luther-King-Pl. 6 20146 Hamburg, Germany 15. Title: Novel Multinuclear Experiments on Solid Organotin Fluorides Authors: Julian C. Cherryman and Robin K. Harris Institution: Department of Chemistry, University of Durham, U.K. 16. Title: NMR Experiments for the detection of NOEs and Scalar Coupling Constants between Equivalent Protons in Symmetric Organic Molecules Authors: A. Poveda (1), P. Noheda (2), C. Vicent (2), S. Penades (2) and J. Jimenez-Barbero (2) Institution: (1) S.I.D.I., Facultad Ciencias, Univ. Autonoma Madrid, Cantoblanco, 28049 Madrid, Spain (2) Instituto Quimica Organica, C.S.I.C., Juan de la Cierva 3, 28006 Madrid, Spain 17. Title: Tagged MR Imaging in the Study of Left Ventricular Filling Authors: Stephen Wilson, Stephen Rose, Cameron Bennett and Greg Campbell Institution: Center for Magnetic Resonance, Dept of Mechanical Engineering, University of Queensland Division of Medicine, Royal Brisbane Hospital, Brisbane, Australia 18. Title: Spin-Diffusion Authors: Alan M. Kenwright (1) and Barry J. Say (2) Institution: (1) IRC in Polymer Science and Technology (2) Department of Chemistry, University of Durham, Durham, DH1 3LE, UK 19. Title: Multi-dimensional heteronuclear NMR studies of Protein-DNA (trp) complex Authors: M. Jaseja, P.D. Evans, M. Jeeves and E.I. Hyde Institution: School of Biochemistry, Univ. of Birmingham, Birmingham, UK B15 2TT, UK 20. Title: New Software for the Calculation of Exchange Lineshapes Authors: Alex D. Bain Institution: Department of Chemistry, McMaster University, 1280 Main St. West, Hamilton, Ontario, L8S 4M1, Canada 21. Title: Internal Dynamics of Binding Loops in Cucurbita Maxima Trypsin-Inhibitors V and III Authors: Jianhua Liu, Mengli Cai, Yu-Xi Gong, Om Prakash, Ying Huang, Yan Kong, Ramaswamy Krishnamoorthi (1) Lisa Wen, Joanna J. Wen, Jeng-Kuen Hhuang, Steven P. Dunkelbarger (2) Institution: (1) Department of Biochemistry, Kansas State University, Manhattan, KS 66505, USA (2) Department of Chemistry, Western Illinois University Macomb, Il 61455, USA 22. Title: Solution Structure of a Parallel Left-handed Double Helical Gramicidin-A Determined by 2D 1H NMR Authors: A. Tucker (1), Y. Chen (2) and B.A. Wallace (2) Institution: (1) Biomedical NMR Centre, Department of Chemistry, Birkbeck College, University of London, London WC1H 7HX, UK (2) Department of Crystallography, Birkbeck College, University of London, London WC1H 7HX, U.K. 23. Title: Fluorine Multipulse with Heteronuclear Proton Decoupling Authors: Ulrich Scheler (1) and Robin K. Harris (2) Institution: (1) Institut fuer Polymerforschung Dresden e.V. PF 120411, D-01005 Dresden, Germany (2) Department of Chemistry, University of Durham, GB-DH1 3LE Durham, UK 24. Title: Phosphorus-31 Solid-State NMR Studies of Homonuclear Spin Pairs in Transition Metal Phosphine Complexes: Single-Crystal, Dipolar-Chemical Shift and Rotational Resonance Experiments Authors: Klaus Eichele (1), Gabriel Ossenkamp (1), Roderick E. Wasylishen (1), T. Stanley Cameron (1), and James F. Britten (2) Institution: (1) Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, B3H 4J3, Canada (2) Department of Chemistry, McMaster University, Hamilton, Ontario, L8S 4M1, Canada 25. Title: Visualizing NMR Constraint Information in MidasPlus Authors: Eric Pettersen (1) and Shauna Farr-Jones (2) Institution: (1) UCSF Computer Graphics Laboratory, University of California San Francisco, 513 Parnassus Ave, San Francisco, CA 94143, USA (2) UCSF Dept. of Pharmaceutical Chemistry, University of California San Francisco, 513 Parnassus Ave, San Francisco, CA 94143, USA 26. Title: Carbon-13 NMR Spectroscopy in Tree Ring Analysis Authors: A. Hofinger, B. Hinterstoisser, S. Hofer, H. Haan and R. Unteregger Institution: Institute of Chemistry, Univ. of Agriculture, A-1180 Vienna, Austria 27. Title: Performance tuning of workstations for NMR processing and analysis Authors: Christoph Weber Institution: Dept. of Molecular Biology, MB2, Scripps Research Institute, La Jolla, CA 92037, USA 28. Title: Is the NMR Spectrometer Still a Single-User Instrument? A Client/Server Approach Authors: M.L. Buszko, D.C. Wang, D. Buszko, J.E. Gander, and K.N. Scott Institution: University of Florida, Department of Microbiology, Box 110700, Gainesville, Fl 32611, USA 29. Title: Correlation Time Dependence of Sensitivity-Enhanced Heteronuclear NMR Experiments Authors: Kevin H. Gardner, N. Sambasiva Rao and Lewis E. Kay Institution: Department of Medical Genetics, Medical Sciences Building, University of Toronto, Toronto, ON M5S 1A8, Canada From owner-structural-nmr@net.bio.net Wed Jun 12 23:00:00 1996 Path: biosci!iatcapa.ss.cnr.it!nicola From: nicola@iatcapa.ss.cnr.it (nicola culeddu) Newsgroups: bionet.structural-nmr Subject: subscribe Date: 13 Jun 1996 02:14:31 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 15 Sender: daemon@net.bio.net Distribution: world Message-ID: <01BB591A.50151000@nicola.iatcapa.ss.cnr.it> NNTP-Posting-Host: net.bio.net subscribe******************************************************************** Nicola Culeddu C.N.R. Istituto per l'Applicazione delleTecniche Chimiche Avanzate ai Problemi Agrobiologici Via Vienna 2, 07100 Sassari Italy Tel 39-79-210162 Fax 39-79-218497 E-mail nicola@hpj.area.ss.cnr.it Be a happy life ******************************************************************** From owner-structural-nmr@net.bio.net Thu Jun 13 23:00:00 1996 Path: biosci!IR2CBM.CNRS-MRS.FR!darbon From: darbon@IR2CBM.CNRS-MRS.FR (Herve DARBON) Newsgroups: bionet.structural-nmr Subject: (none) Date: 14 Jun 1996 01:05:36 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 3 Sender: daemon@net.bio.net Distribution: world Message-ID: <9606140801.AA29534@ir2cbm.cnrs-mrs.fr> NNTP-Posting-Host: net.bio.net subscribe From owner-structural-nmr@net.bio.net Thu Jun 13 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: "Lennart Nilsson, KI/CSB" Newsgroups: bionet.structural-nmr Subject: ANNOUNCEMENT: Understanding Protein Structure Determination Date: 14 Jun 1996 14:03:42 +0100 Lines: 28 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <4prnve$61s@mserv1.dl.ac.uk> X-Mts: smtp Original-To: pdb-l@pdb.pdb.bnl.gov, bioforum@dl.ac.uk, bionews@dl.ac.uk, biophys@dl.ac.uk, bio-soft@dl.ac.uk, comp-bio@dl.ac.uk, methods@dl.ac.uk, molmodel@dl.ac.uk, proteins@dl.ac.uk, xtal-log@dl.ac.uk, str-nmr@dl.ac.uk Posted-Date: Fri, 14 Jun 96 15:03:46 +0200 The Karolinska Institute's Center for Structural Biochemistry will hold its 6th summer school, entitled "Understanding Protein Structure Determination" on September 1-6, 1996. This is one of a series of short graduate courses organized each summer by the Summer University of Southern Stockholm at NOVUM Research Park, located about 15 km south of Stockholm. As usual we are aiming for an informal format with students on the graduate and postdoc levels. A fair amount of time will be set aside for discussions and social activities. The topic of the 1996 summer school is intended to cover the two major protein structure determination techniques: X-ray crystallography and NMR spectroscopy. Topics such as the physical basis, experimental aspects, computational and software aspects, quality assessment of determined structures, and effects of structural heterogeneity and dynamics will be addressed. Emphasis will be put on the complementarity of the two techniques. Course fee: SEK 2500 (academic), SEK 5000 (non academic) Deadlines: Application June 14, 1996; poster abstract August 2, 1996. For further information/application forms please contact Ms. Aila Holappa at FAX +46-8-608 9290 or e-mail Aila.Holappa@cbt.ki.se More information, and a post-script registation form, is available at http://www.csb.ki.se/events/summer96.html Organizing committee: Hans Hebert, Torleif Hard, Rudolf Ladenstein, Lennart Nilsson From owner-structural-nmr@net.bio.net Sun Jun 16 23:00:00 1996 Path: biosci!B.PSC.EDU!HECKATHO From: HECKATHO@B.PSC.EDU Newsgroups: bionet.structural-nmr Subject: CCL: Molecular Dynamics workshop Date: 17 Jun 1996 07:38:50 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 93 Sender: daemon@net.bio.net Distribution: world Message-ID: <960617103505.25014870@B.PSC.EDU> NNTP-Posting-Host: net.bio.net PITTSBURGH SUPERCOMPUTING CENTER BIOMEDICAL SUPERCOMPUTING INITIATIVE METHODS AND APPLICATIONS OF MOLECULAR MECHANICS AND DYNAMICS TO MOLECULES OF BIOLOGICAL INTEREST WORKSHOP; August 7-10, 1996. Instructors include Dr. David Case, the Scripps Research Institute, Thomas Cheatham III, UCSF; Prof. Peter A. Kollman, UCSF, Dr. David A. Pearlman, Vertex Pharmaceuticals; and Bill Ross, UCSF. General aspects of molecular mechanics and dynamics theory and software will be discussed. The program AMBER will be utilized extensively in demonstrations. Biomedical Workshops offered by the Pittsburgh Supercomputing Center typically consist of theoretical lectures taught by leaders in the respective scientific discipline, and extensive hands-on computer sessions. During the computer sessions, participants are able to work on the examples provided or on their own experimental data. Attendance is limited to 20 participants to allow one-on-one instruction and encourage scientific interactions and discussions. Application deadlines are six weeks prior to the workshop. Researchers nationwide are invited to apply. For additional information, please refer to http://www.psc.edu/biomed/workshops.html CONTACT INFORMATION: Nancy Blankenstein, Biomedical Program Assistant, (412)268-4960, blankens@psc.edu TO APPLY FOR THE WORKSHOP, please fill out the application form, and return all application materials six weeks before the workshop to: Biomedical Workshop Applications Committee Pittsburgh Supercomputing Center 4400 Fifth Avenue, Suite 230C Pittsburgh, PA 15213 ****************************************************************************** APPLICATION FORM - Biomedical Workshop PITTSBURGH SUPERCOMPUTING CENTER BIOMEDICAL SUPERCOMPUTING INITIATIVE METHODS AND APPLICATIONS OF MOLECULAR MECHANICS AND DYNAMICS TO MOLECULES OF BIOLOGICAL INTEREST WORKSHOP APPLICATION FORM Name: ________________________________________________________________ Affiliation: ________________________________________________________________ Address: ________________________________________________________________ (Business) ________________________________________________________________ ________________________________________________________________ (Home) ________________________________________________________________ Telephone: ____________________________ ______________________________ (Business) (Home) *Social Security Number: _______-_____-_______ Citizenship:___________________ Electronic Mail Address:_______________________________________________________ Status: ___Graduate ___Post-doctoral Fellow ___Faculty ___Other (specify) Please indicate specifically any special housing, transportation or dietary arrangements you will need: ___________________________________________________ How did you learn about this workshop:_________________________________________ REQUIREMENTS: pleted application form and a cover letter. The letter should describe, in one or two paragraphs, your current research, and how participating in the workshop will enhance this research. Please include a brief statement describing your level of experience with computers. Faculty members, staff and post-docs should provide a curriculum vitae. Graduate students must have a letter of recommendation from a faculty member. Please return all application materials *Disclosure of Social Security Number is voluntary. PSC does not discriminate on the basis of race, color, religion, sex, age, creed, national or ethnic origin, or handicap. From owner-structural-nmr@net.bio.net Sun Jun 16 23:00:00 1996 Path: biosci!UNITY.NCSU.EDU!idshin From: idshin@UNITY.NCSU.EDU ("Dan Shin") Newsgroups: bionet.structural-nmr Subject: Unsubscribe Date: 17 Jun 1996 09:14:40 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 4 Sender: daemon@net.bio.net Distribution: world Message-ID: <960617105806.ZM3558@152.1.38.71> NNTP-Posting-Host: net.bio.net Please unsubscribe me. Thanks. Dan Shin dan_shin@ncsu.edu From owner-structural-nmr@net.bio.net Mon Jun 17 23:00:00 1996 Path: biosci!UICBAL3.PMMP.UIC.EDU!shantha From: shantha@UICBAL3.PMMP.UIC.EDU ("Shantha D. Samarasinghe") Newsgroups: bionet.structural-nmr Subject: nmrPipe Date: 18 Jun 1996 13:44:50 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 17 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net Can anyone please post information regarding obtaining a copy of the program nmrPipe. I appreceiate if you can mention about the cost if any. Thanks in advance, -Shantha- +-----------------------------------------------+ | Shantha D. Samarasinghe | | Department of Medicinal Chemistry | | University of Illinois at Chicago | | College of Pharmacy | | 833 S. Wood Street | | Chicago, IL 60612 | | Tele: 312 996 0705,7743 (O) | | 312 326 3399 (H) | | e-mail: shantha@uic.edu | | WWW URL: http://www.uic.edu/~shantha | +-----------------------------------------------+ From owner-structural-nmr@net.bio.net Mon Jun 17 23:00:00 1996 Path: biosci!BIOC01.UTHSCSA.EDU!raman From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN) Newsgroups: bionet.structural-nmr Subject: Re: nmrPipe Date: 18 Jun 1996 14:21:28 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 31 Sender: daemon@net.bio.net Distribution: world Message-ID: <9606182115.AA04059@bioc01.uthscsa.edu> References: NNTP-Posting-Host: net.bio.net Shantha: > Can anyone please post information regarding obtaining a copy of the > program nmrPipe. I appreceiate if you can mention about the cost if any. Please contact Dr. Frank Delaglio for additional information on NMRPIPE. delaglio@speck.niddk.nih.gov Cheers -raman -- _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ _/ _/ _/ C.S.RAMAN _/ _/ Department of Biochemistry _/ _/ University of Texas Health Science Center _/ _/ 7703 Floyd Curl Drive _/ _/ San Antonio, TX 78284-7760 _/ _/ USA _/ _/ _/ _/ Tel: (210) 567-6623 _/ _/ Fax: (210) 567-6595 _/ _/ E-mail: raman@bioc01.uthscsa.edu _/ _/ _/ _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ _/ _/ _/ "The real problem in speech is not precise language. _/ _/ The problem is clear language." --Richard Feynman _/ _/ _/ _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ From owner-structural-nmr@net.bio.net Tue Jun 18 23:00:00 1996 Path: biosci!daresbury!bioftp.unibas.ch!infobiogen.fr!jussieu.fr!oleane!tank.news.pipex.net!pipex!arclight.uoregon.edu!news.bc.net!news.sfu.ca!beaufort!rstorjoh From: Rasmus Storjohann Newsgroups: bionet.structural-nmr Subject: Gradient selected COSY Date: Tue, 18 Jun 1996 17:38:59 -0700 Organization: Simon Fraser University Lines: 21 Message-ID: NNTP-Posting-Host: beaufort.sfu.ca Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Sender: rstorjoh@beaufort We have a 600 MHz AMX from Bruker with gradients, but we do not have a gradiens selected COSY pulse program. Since most of our samples are in H2O such a pulse program would be very usefull. Previosly we have had some problemst determining the strength of the gradient pulses on our machine. What is the best way to solve this problem? Thanks for any help! __ Rasmus Storjohann / /\ Institute of Molecular Biology / / \ and Biochemistry / / /\ \ Simon Fraser University / / /\ \ \ Burnaby, British Columbia V5A 1S6 / /_/__\ \ \ e-mail: rstorjoh@sfu.ca /________\ \ \ Phone: (604) 299-7072 \___________\/ FAX: (604) 291-3765 From owner-structural-nmr@net.bio.net Tue Jun 18 23:00:00 1996 Path: biosci!ualberta.ca!stephane.gagne From: stephane.gagne@ualberta.ca (Stephane Gagne) Newsgroups: bionet.structural-nmr Subject: Re: nmrPipe Date: 18 Jun 1996 21:08:41 -0700 Organization: University of Alberta Lines: 37 Sender: daemon@net.bio.net Distribution: world Message-ID: <31C73C83.446B@ualberta.ca> References: NNTP-Posting-Host: net.bio.net Shantha D. Samarasinghe wrote: > > Can anyone please post information regarding obtaining a copy of the > program nmrPipe. I appreceiate if you can mention about the cost if any. > Thanks in advance, > -Shantha- > Extracted from "Journal of Biomolecular NMR, 6 (1995) 277-293: ------------------------------------------------------------------------ The NMRPipe system is available via a secured-access anonymous ftp site. For details on retrieving the software, send a request be e-mail to delaglio@helix.nih.gov ------------------------------------------------------------------------ , Stephane -- , , * Stephane Gagne *** Department of Biochemistry *** 4-19 Med. Sci. Bldg. *** *** *** University of Alberta ************* Edmonton, Canada. T6G-2H7 * * * E-mail: stephane.gagne@ualberta.ca *** Phone: (403) 492-3006 * Fax: (403) 492-0886 WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW W W W WWW: http://diadem.biochem.ualberta.ca/~smg3d W W W WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW From owner-structural-nmr@net.bio.net Wed Jun 19 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: g.a.morris@man.ac.uk (Gareth Morris) Newsgroups: bionet.structural-nmr Subject: Postdoctoral position available Date: 20 Jun 1996 12:41:12 +0100 Lines: 57 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <4qbdco$c67@mserv1.dl.ac.uk> X-Sender: mbdpsgm@130.88.200.20 Original-To: ammrl@bloch.cchem.berkeley.edu The following ad has just appeared in Nature; I would be grateful if you would draw it to the attention of any suitable candidates. With apologies for the cross-posting, Gareth Morris =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D University of Manchester Department of Chemistry Postdoctoral Research Associate in NMR Spectroscopy Applications are invited for a postdoctoral research associateship supported by the EPSRC to work with Dr. G.A. Morris on the development of automatic shimming methods for high resolution NMR spectroscopy. The position is available from October 1st, 1996, and will be for one year renewable for a further year. The salary will be on the RA1A scale in the range =A314,317 -=A317,466 p.a. Informal enquiries may be made to Dr. G.A. Morris tel: 0161 275 4665, g.a.morris@man.ac.uk. Application forms and further particulars are available from the Director of Personnel, University of Manchester , Oxford Road, Manchester M13 9PL, tel: 0161 275 2028 fax: 0161 275 2221 email: personnel@man.ac.uk. Quote reference number 309/96. Closing date: 12 July 1996. As an Equal Opportunities Employer, the University welcomes applications from suitably qualified people from all sections of the community regardless of race, religion, gender or disability. Promoting quality teaching and research =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D ____________________________________________________________________________= ____ Dr. G.A. Morris g.a.morris@man.a= c.uk Dept. of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL, UK (0) 161 275 = 4665 ____________________________________________________________________________ ____ From owner-structural-nmr@net.bio.net Thu Jun 20 23:00:00 1996 Path: biosci!MIDWAY.UCHICAGO.EDU!leisu From: leisu@MIDWAY.UCHICAGO.EDU (Lei Su) Newsgroups: bionet.structural-nmr Subject: subscribe Date: 21 Jun 1996 16:01:15 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 2 Sender: daemon@net.bio.net Distribution: world Message-ID: <199606212256.RAA16342@quads.uchicago.edu> NNTP-Posting-Host: net.bio.net subscribe From owner-structural-nmr@net.bio.net Fri Jun 21 23:00:00 1996 Path: biosci!internet!biosci!not-for-mail From: biohelp (BIOSCI Administrator) Newsgroups: bionet.structural-nmr Subject: IMPORTANT - BIOSCI Fundraising Update! Date: 22 Jun 1996 02:00:30 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 154 Sender: daemon@net.bio.net Distribution: world Message-ID: <199606220900.CAA11901@net.bio.net> NNTP-Posting-Host: net.bio.net BIOSCI is about halfway to its funding goal!! I'm interrupting the usual monthly posting of the BIOSCI miniFAQ to bring you up to date on BIOSCI fundraising progress, a topic of concern to your future use of this resource. Thank you in advance for taking the time to read this message carefully. Last year we announced that BIOSCI was going to adopt the U.S. Public Broadcasting System model to fund its operations after our DOE/NSF grant runs out later this year. Unlike PBS, we are not soliciting contributions from users; we are only selling ads on our Web pages solely to cover our operating costs. Our goal is to seek sponsorships until we build up an operating reserve of about $100,000 and then cease further promotions until we need to build the reserve back up. (The accountants among our readership will be familiar with the problem of deferred revenue which we can not safely utilize until ads have been displayed for a period of time.) We are only about halfway to our funding goal and need to raise further funds to avoid having to curtail services at net.bio.net. Fundraising is time-consuming, however, and we need your help as explained further below. Our operating costs consist of our network connection, phone lines, hardware maintenance (we will be getting newer and faster hardware soon!), plus 0.7 FTE of salaries covering UNIX systems admin, technical support, quality assurance, i.e., testing, of our system, and administrative costs (such as the time it takes to actually find/write/call potential sponsors and raise money!). Although the BIOSCI staff does get compensated for a portion of the work that they do, this project has always received a lot of free after-hours and "vacation" time labor, so we hope that no one will begrudge the time that we do charge to the project to serve you. All of the three part-time staff members, Dave Mack, Julie Lawrence, and myself, have full time day jobs and families in addition to working hard to keep this service running for all of you. Julie and Dave Mack are subcontractors for BIOSCI; my time that is charged to the project defrays a portion of my regular salary instead of adding to my income. Besides having to relocate the project, we were very busy this last year building new infrastructure such as our WWW hypermail interface to the system. This was released last December along with scores of WAIS indices for the newsgroups. Virtually everything is complete, although we do continue to find and fix bugs (many through your helpful feedback!). We are still having some problems with our WAIS indexing. The archives continue to grow rapidly. We are running over 100 indexes now versus three previously and any systems crashes cause greater havoc with the indexing than before! We are still working to fix this as fast as our resources permit and appreciate your patience, but we have been able to automate a lot of the infrastructure to reduce labor as compared to past requirements. We have also implemented new software to make moderation of BIOSCI/bionet newsgroups much easier and combat the growing problem of Internet junk mail and USENET "spamming." About 20% of our groups are now moderated, many of them by the BIOSCI staff! This, for example, made a major difference last year in the quality of content in our EMPLOYMENT/bionet.jobs.offered newsgroup which many commercial concerns and recruiting firms are using **without charge** to recruit candidates for positions in the biological sciences. We are also now in a position to have sponsors for individual newsgroups as you will have noticed if you have visited http://www.bio.net/ and clicked on "Access the BIOSCI/bionet newsgroups" recently. So, how can you help?? ---------------------- As noted above it can take a lot of time to contact potential sponsors if I have to do it all myself. Our request is quite simple. You can do two important things which will take very little time for you individually. First, please use our WWW system at http://www.bio.net/ to access the archives. You can now post or reply to messages via your Web browser. Your usage helps attract sponsors. If you contact any of our sponsors, please be sure to thank them for supporting BIOSCI. It is critical for them to get this feedback if they are to continue their sponsorship for the long term. Second, if you work for a company or organization that provides products or services of interest to the biology community, please pass this message on to your marketing or marketing communications department or other appropriate group. Please ask them to help support BIOSCI by sponsoring our Web site and explain the uses and benefits of the system to the biology community. If they are interested, they can then contact us for further information at our tech support address, biosci-help@net.bio.net. Our hope is to quickly raise several large corporate/institutional sponsors on our heavily-used WWW locations (some stats appended below), and then end this sponsorship campaign so that our resources can continue to be used for service provision, not fundraising. Many of our specialty newsgroup WWW archives are still used by small communities of scientists (and they haven't been heavily promoted yet). While these may be valuable niche markets to some advertisers, it will generate more labor and overhead having to find these sponsors, fairly price the locations, and deal with lots of smaller sponsorships than fewer mid-to large sponsors. We are striving to keep our operation as lean and efficient as possible since we are not trying to make careers out of running BIOSCI. We are trying if at all possible to avoid the administrative overhead entailed with processing lots of small payments to reach our fundraising goals. I'd like to thank all of you for your help in advance. In helping us, you are also helping yourselves, not only in keeping this resource available for all of the both large and small research communities that we serve, but also by alleviating the need for us to go back and compete with researchers for tight grant dollars! We promised NSF when we were awarded the BIOSCI grant that we would carry out this mission to make the service self-supporting. With your help, we will succeed in continuing BIOSCI's work into its second decade. Thank you very much! Sincerely, Dave Kristofferson BIOSCI/bionet Manager biosci-help@net.bio.net A list of our prime WWW sponsorship locations follow. Please contact us for further details. ---------------------------------------------------------------------- The overall BIOSCI WWW pages are currently visited by users from close to 5500 unique computer hosts per week. Web servers only log the Internet computer/host name and frequently more than one individual can connect to us from a particular host. Main home page, http://www.bio.net, visited recently by about 2100 unique hosts per week Main Newsgroups archives page, http://www.bio.net/archives.html, visited recently by about 1200 Unique hosts per week BIO-JOURNALS archive page, http://www.bio.net/BIO-JOURNALS.html, visited recently by about 1000 unique hosts per week. EMPLOYMENT archive pages: http://www.bio.net:80/hypermail/EMPLOYMENT/ and monthly header pages, visited recently by about 800 unique hosts per week. Address database search page, http://www.bio.net/addrsearch.html, visited recently by about 450 unique hosts per week. Methods newsgroup archive pages, http://www.bio.net:80/hypermail/METHDS- REAGNTS/ and monthly header pages, visited recently by about 350 unique hosts per week. Ads can also be displayed on various combinations of other BIOSCI/bionet newsgroups. Please contact us at biosci-help@net.bio.net for details. ---------------------------------------------------------------------- From owner-structural-nmr@net.bio.net Fri Jun 21 23:00:00 1996 Path: biosci!agate!howland.reston.ans.net!swrinde!gatech!usenet.eel.ufl.edu!news-res.gsl.net!news.gsl.net!news.mathworks.com!newsfeed.internetmci.com!news.compuserve.com!news.production.compuserve.com!news From: Hilton Evans <102303.2120@CompuServe.COM> Newsgroups: bionet.molec-model,bionet.structural-nmr,sci.chem,sci.chem.analytical,sci.chem.organomet Subject: Low Cost Chemical Drawing Software Date: 22 Jun 1996 13:38:51 GMT Organization: CompuServe, Inc. (1-800-689-0736) Lines: 19 Message-ID: <4qgt1b$ro6$1@mhadg.production.compuserve.com> Xref: biosci bionet.molec-model:1001 bionet.structural-nmr:1353 sci.chem:58931 sci.chem.analytical:4567 sci.chem.organomet:2175 9:33 AM 6/22/96 ChemPen+ Shareware Edition Illustrate your Chemistry Documentation with ChemPen+ for Windows 3/95. Using its easy menu and mouse driven interface ChemPen+ makes drawing chemical structures quick and easy. Drawings can be pasted into your favorite Windows wordprocessors. ChemPen+ calculates molecular weight, molecular formula and elemental composition. ChemPen includes a C-13 NMR calculator for saturated branched and linear hydrocarbons and a small expandable HOSE coded C-13 database for other types of molecules. You can also build your own database. At $39 ChemPad+ is one of the least expensive chemical structure drawing programs available. ChemPen+ includes full online help and a tutorial. Registrants get latest version. Optional NMR databases are available for $39 each. Compuserve members GO SWREG , Registration ID: 11961 Contact: HFEvans@aol.com 102303.2120@comuserve.com http://users.aol.com/hfevans/chempen.htm From owner-structural-nmr@net.bio.net Sun Jun 23 23:00:00 1996 Path: biosci!galaxy.ucr.edu!ihnp4.ucsd.edu!swrinde!cs.utexas.edu!howland.reston.ans.net!agate!sunsite.doc.ic.ac.uk!yama.mcc.ac.uk!daresbury!not-for-mail From: jody McGill Newsgroups: bionet.structural-nmr Subject: Principles of Protein Structure Using the Internet Date: 24 Jun 1996 14:27:34 +0100 Lines: 22 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <4qm546$c1f@mserv1.dl.ac.uk> Reply-To: jody McGill X-Sender: jody@iona.cryst.bbk.ac.uk Original-To: bio-info@dl.ac.uk, bionews@dl.ac.uk, bio-www@dl.ac.uk, str-nmr@dl.ac.uk, proteins@dl.ac.uk, xtal-log@dl.ac.uk, molmodel@dl.ac.uk Dear All The Crystallography Department of Birkbeck College is running a part-time, London University course on the PRINCIPLES OF PROTEIN STRUCTURE on the Internet. 1. Introduction to Internet Resources 2. Protein Structure 3. Dissertation: structure, function and dynamics The course covers one academic year of three terms, from September 30, 1996 to 4 July 1997. Costs are: 250 pounds sterling for EU students and 550 pounds sterling for other students. For details of course contents, administration and registration URL http://www.cryst.bbk.ac.uk/PPS2/index.html Contact: Jody McGill, Crystallography Department, Birkbeck College London, WC1E 7HX. UK Tel. +44 (0)171 631 6800 Fax. +44 (0)171 631 6803 e.mail: j.mcgill@mail.cryst.bbk.ac.uk From owner-structural-nmr@net.bio.net Tue Jun 25 23:00:00 1996 Path: biosci!daresbury!nntp-trd.UNINETT.no!Norway.EU.net!EU.net!news-res.gsl.net!news.gsl.net!nntp.coast.net!lll-winken.llnl.gov!uwm.edu!news.cse.psu.edu!news.cc.swarthmore.edu!netnews.upenn.edu!rams From: rams@pine.chem.upenn.edu (Ayyalusamy Rams) Newsgroups: bionet.structural-nmr Subject: "POSTDOCTORAL POSITION available" Date: 26 Jun 1996 16:00:24 GMT Organization: Department of Chemistry, University of Pennsylvania Lines: 44 Message-ID: <4qrmqo$nom@netnews.upenn.edu> NNTP-Posting-Host: pine.chem.upenn.edu POSTDOCTORAL POSITION ********************* We are looking for a post-doctoral fellow to study the structural biology of membrane-bound peptides and proteins (1-3) in the Department of Chemistry and Biophysics Research Division at the University of Michigan, Ann Arbor, Michigan, U.S.A. We are particularly interested in identifying a candidate with expertise on peptide synthesis through an automated solid-phase peptide synthesizer, HPLC, molecular biology of membrane proteins, multi-dimensional high resolution solution NMR of macromolecules, EPR, CD, molecular dynamics, FTIR, computation, and solid-state NMR. The position is available in the fall of 1996. The department has 200, 300, 360, & 500 MHz NMR spectrometers, FTIR, CD, spectrophotometers, peptide synthesizer, HPLC, EPR (Q band), Raman, several Silicon Graphics computers, and facilities for molecular biology work (including gene cloning, protein expression, isolation and purification). Solid-state NMR 400 MHz spectrometer will be installed soon. Application including CV, a list of publications, and two reference letters should be sent to the following address before July 15, 1996. A. Ramamoorthy e.mail: rams@chestnut.chem.upenn.edu 231 South 34th Street Department of Chemistry Tel: (215)898-8301 University of Pennsylvania Fax: (215)573-3899 Philadelphia, 19104. ********************************************************************* Related research papers: ----------------------- 1. A. Ramamoorthy, F. M. Marassi, M. Zasloff, and S. J. Opella, J. Biomol. NMR. vol. 6, p: 329-334 (1995). 2. S. J. Opella, Y. Kim, and P. McDonnell, Meth. in Enzymol. vol. 239, p: 536-560 (1994). 3. S. O. Smith and O. B. Peersen, Ann. Rev. Biophys. Biomol. Str. vol. 21, p: 25-47 (1992). ********************************************************************* From owner-structural-nmr@net.bio.net Wed Jun 26 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: "Graham E Jackson" Newsgroups: bionet.structural-nmr Subject: VXR 200 Magnet lifting Date: 27 Jun 1996 13:22:10 +0100 Lines: 27 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <4qtudi$hkl@mserv1.dl.ac.uk> X-mailer: Pegasus Mail v3.22 Original-To: str-nmr@dl.ac.uk Help We have just purchased the latest version of a Varian 15N-13P Broadband probe (5mm) for a VXR 200. The new probe is longer than the old one and this necessitates the fitting of new legs(supplied by Varian) underneath the old ones to raise the magnet by about 10 cm (4 inches ). We intend to build a wooden frame around the magnet to which we will attach a pulley. The pulley will be positioned directly above the magent. A small aluminium bar plus and eye-bolt that is shipped with the magnet will be bolted onto the top of the magnet body. There are bolt holes on top of the magnet outer body where the bolts can be attached. If anyone has done this before, are there any special precautions that must be observed to avoid a quench? Graham E Jackson Associate Professor Department of Chemistry University of Cape Town Cape Town South Africa Fax: (027 21) 6503788 Tel: (027 21) 6502531 E-mail: jackson@psipsy.uct.ac.za From owner-structural-nmr@net.bio.net Thu Jun 27 23:00:00 1996 Path: biosci!chula.ac.th!gc685059 From: gc685059@chula.ac.th (Nopporn Wichailak) Newsgroups: bionet.structural-nmr Subject: (none) Date: 28 Jun 1996 04:17:46 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 2 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <199606212256.RAA16342@quads.uchicago.edu> NNTP-Posting-Host: net.bio.net unsubscribe From owner-structural-nmr@net.bio.net Sun Jun 30 23:00:00 1996 Path: biosci!INDIGO5.CARB.NIST.GOV!tunc From: tunc@INDIGO5.CARB.NIST.GOV (John Moult) Newsgroups: bionet.structural-nmr Subject: Request for Structure Prediction targets Date: 1 Jul 1996 08:53:25 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 285 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net To all Protein NMR Spectroscopists: As you may know, the second Asilomar protein structure prediction experiment (called CASP2) is well underway, with a prediction season running until October 1, and a meeting in December. The goal of the experiment is to obtain as objective a view as possible of what current protein structure prediction methods are or are not capable of. The method is to obtain information about soon to be solved structures from experimentalists, to pass that on to the predictors, and to collect their models before the structure becomes public. The first experiment, held during 1994, produced a large amount of interesting and provocative data. A special issue of PROTEINS (vol 23, no 3, November 1995) contains papers describing the outcome. We hope the second experiment will be as informative. In particular, a big question now is the extent to which the key problems identified have been solved in the intervening two years. You can find out more about the whole process, including the target situation, from two web sites: http://iris4.carb.nist.gov/casp2 http://www.mrc-cpe.cam.ac.uk/casp2 If you would like to be get the mailings associated with the experiment, please register there as 'interested'. So far, we have 70 groups registered as intending to make predictions. 35 teams predicted last time, so we look like on the way to doubling participation. In contrast to this, we so far have only 23 targets, and we would like to get to around 50. So the purpose of this message is to ask you to help with target provision, if you can. The rules are spelled out on the general target request below. We need targets in all four categories, and with expiry dates between quite soon and October 1. We are particularly in need of relatively small protein targets suitable for ab initio prediction methods, and hope that the NMR community can be particularly helpful in that area. But even if you do not have any targets available yourself, please pass this message on to other experimentalists you think might be interested. We cannot make this experiment work without again getting the help of the experimental community. John Moult. ----------------------------------------------------------------------------- Announcement: Call for prediction targets for CASP2 =================================================== This is a call to X-ray crystallographers and NMR spectroscopists. In 1994 the first protein structure prediction experiment was held to evaluate prediction methods through blind prediction. Details of about 33 protein sequences, which were expected to be solved before the end of 1994, were submitted by experimentalists and this allowed 135 blind predictions to be made by 35 different groups, and led to the most objective assessment of prediction methods so far. The results of the experiment are published in the November 1995 issue of Proteins: Structure, Function, and Genetics. This is the announcement of the second prediction experiment, which will run throughout 1996 and culminate in an evaluation meeting in December. As before, for the experiment to succeed, it is essential that we obtain the help of the experimental community. Therefore, we would like to invite Protein crystallographers and NMR spectroscopists who expect to solve a structure before 1st October 1996 to submit the sequence so that attempts can be made to predict it before it is publically announced. Each prediction will be given a deadline prior to the date on which the first information about the structure is to be made public. Targets of all sizes and types are required. Small structures (less than 100 residues) are needed to test some of the ab initio structure prediction methods. Proteins with folds related to those of known structures are needed to test fold identification methods. Proteins with sequences homologous to that of one or more known structures are needed to test comparative modeling methods. Protein-Protein and Protein-Ligand complexes are required to test docking methods. All that is requested is: - the sequence or a sequence accession number of the protein - an estimate of the likely date of public release (and updates if the work proceeds faster or slower) - a commitment to make the coordinates available to the independent assessors not latter than 1st October should the structure be solved by then. Any coordinates provided will be treated with strict confidentiality as requested and used only to evaluate the accuracy of predictions. For further information and on-line forms and documents see: http://iris4.carb.nist.gov/casp2/ http://www.mrc-cpe.cam.ac.uk/casp2/ A Target protein submission form is also attached to this message and can be mailed to casp2@mrc-lmb.cam.ac.uk Tim Hubbard Co-chair Centre for Protein Engineering, Cambridge, UK. Steve Bryant Co-chair NCBI, National Library of Medicine, USA. John Moult President CARB, University of Maryland, USA. Jan T. Pedersen CARB, University of Maryland, USA Krzysztof Fidelis Lawrence Livermore National Laboratory, USA. Richard Judson Sandia National Laboratory, USA. ------------------------------------------------------------------------- CASP2: Second Meeting on the Critical Assessment of Techniques for Protein Structure Prediction Target submission form ====================== Instructions for completing this form ------------------------------------- (0) Please only use this form if you are unable to complete the WWW version at http://iris4.carb.nist.gov/casp2/ or http://www.mrc-cpe.cam.ac.uk/casp2/ (1) Save this page as a text file (2) Complete all sections (3) send by email to casp2@mrc-lmb.cam.ac.uk (4) if you have filled out the form correctly, you should receive an email acknowledgement (though not necessarily immediately) cut here ------------------------------------------------------------------------- CASP2: Second Meeting on the Critical Assessment of Techniques for Protein Structure Prediction Target submission form ====================== This is the text version of the Prediction target submission form for the Second Critical Assessment Techniques for Protein Structure Prediction Experiment (CASP2). Introduction ============ Protein crystallographers and NMR spectroscopists are asked to provide details of structures they expect to have solved before 1st October 1996 using this form. Targets of all sizes and types are required. Small structures (less than 100 residues) are needed to test some of the ab initio structure prediction methods. Proteins with folds related to those of known structures are needed to test fold recognition methods. Proteins with sequences homologous to that of one or more known structures are needed to test comparative modelling methods. To be useful to the predictors, a period of at least a month is required before any details of the structure will be released. Please notify us immediately when the details are going to be made public, so that we can ask the predictors to stop work in a timely manner. This can be done by sending a mail to casp2@mrc-lmb.cam.ac.uk. In order for the predictions to be assessed in time for the meeting in December, we will need a set of co-ordinates by the beginning of October at the latest. If necessary, these can be for limited distribution until the meeting. A. Scientific information ========================= 1. [ ] Protein Name 2. [ ] Organism Name 3. [ ] Number of amino acids (does not need to be exact) Please provide accession number and database of the protein or the actual sequence (both if possible). 4. [ ] Accession number 5. Sequence Database [ ] Swiss-prot [ ] PIR [ ] Genbank [ ] EMBL [ ] Other [ ] 6. Amino acid sequence One letter code (ACEDFTK) is preferred, but three letter code (ala cys glu asp) can also be processed. 7. Are there homologous sequences of known structure to this protein? Yes [ ] No [ ] 8. Current state of the experimental work Please describe briefly where things are at, addressing as many of the following points as you wish to/are relevant/can. The more information, the easier it is for a modeler to decide whether to predict your structure. Protein supply? Crystals? Diffraction quality? Molecular replacement in progress? Molecular replacement solution in hand? Heavy atom derivative search in progress? Heavy atom derivatives in hand? Interpretable NMR spectra? 9. Do you already have an interpretable map or set of NOEs? Yes [ ] No [ ] 10. [ ] Estimated date of chain tracing completion. In order to assess the predictions before the meeting, this date should be before 1st October 1996. 11. [ ] Estimated date of public release of structure 12. If you have any other useful information about this sequence family please enter it below - B. Administrative information ============================= 13. [ ] Name 14. Mailing address: [ ] 15. [ ] Tel 16. [ ] Fax 17. [ ] Email 18. How did you hear about this prediction experiment? [ ] Nature Add [ ] Poster [ ] Newsgroup [ ] Email [ ] Other [ ] -------------------------------------------------------------------------