From owner-structural-nmr@net.bio.net Wed Mar 01 22:00:00 1995 Path: biosci!daresbury!not-for-mail From: stefano chimichi Newsgroups: bionet.structural-nmr Subject: NUTS Date: 2 Mar 1995 15:26:24 -0000 Lines: 14 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <3j4o30$ip5@mserv1.dl.ac.uk> Reply-To: chimichi@risc1.chimorg.unifi.it Original-Sender: chimichi@it.unifi.chimorg.risc1 X-Nupop-Charset: English Original-To: str-nmr@dl.ac.uk Hi Netters, I'd like to ask if there is somebody using NUTS from ACORN NMR to work with NMR spectra on PC. We have the following question: importing a 1H spectrum from Gemini with VHELPER we lose the reference. Now if you don't have TMS in your spectrum or you can't see the CDCl3 line how to reference? Then why we lose the reference? (We are using the demo version) Thanxs for help Stefano ---------------------------------------------------------------------- Prof.Stefano Chimichi Phone: 39+55+2757631 Organic Chemistry Dept. Fax: 39+55+2476964 Via Gino Capponi, 9 I-50121 FIRENZE - Italy ---------------------------------------------------------------------- From owner-structural-nmr@net.bio.net Thu Mar 02 22:00:00 1995 Path: biosci!physik.uni-wuerzburg.de!kienlin From: kienlin@physik.uni-wuerzburg.de (Markus von Kienlin) Newsgroups: bionet.structural-nmr Subject: ENC in Boston: roommate wanted Date: 2 Mar 1995 23:27:33 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 21 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net Hello NMR users, during the upcoming meeting of the ENC in Boston, I've booked a twin bedroom at the "Marriott" from Sunday, March 26 through Thursday, March 30. I am looking for a (non-smoking) roommate to share the room and the cost (the room is $150.- per night plus tax). If you're interested, please mail to: kienlin@physik.uni-wuerzburg.de. greetings, Markus ------------------------------------------------------------- Dr. Markus von Kienlin Tel.: (x 49)(931) 888-5109 Physikalisches Institut Fax: (x 49)(931) 70.62.97 Universitaet Wuerzburg Am Hubland 97074 Wuerzburg Germany ------------------------------------------------------------- From owner-structural-nmr@net.bio.net Thu Mar 02 22:00:00 1995 Path: biosci!SAIPH.BIOCHEM.UALBERTA.CA!jjw From: jjw@SAIPH.BIOCHEM.UALBERTA.CA (Jian Jun) Newsgroups: bionet.structural-nmr Subject: subscribe Date: 3 Mar 1995 08:43:23 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 19 Sender: daemon@net.bio.net Distribution: world Message-ID: <9503031644.AA09053@saiph.biochem.ualberta.ca> NNTP-Posting-Host: net.bio.net Hi, Please subscribe me into your list. Thanks! JJW -- ************************************************************************** JianJun WANG, Ph.D. Lipid and Lipoprotein Research Group Department of Biochemistry University of Ablerta Tel: (403)-492-4630 Edmonton, Alberta Fax: (403)-492-1473 Canada T6G 2S2 E-mail: jjw@rigel.biochem.ualberta.ca ************************************************************************** From owner-structural-nmr@net.bio.net Sun Mar 05 22:00:00 1995 Path: biosci!agate!howland.reston.ans.net!pipex!oleane!jussieu.fr!univ-lyon1.fr!swidir.switch.ch!newsfeed.ACO.net!fstgds15.tu-graz.ac.at!balu.kfunigraz.ac.at!boch13!sengst From: sengst@email.kfunigraz.ac.at (Sengstschmid) Newsgroups: bionet.structural-nmr Subject: Bruker UXNMR -> Felix ? Date: Sat, 4 Mar 1995 17:44:36 Organization: Org.Chem. Lines: 12 Message-ID: NNTP-Posting-Host: boch13.kfunigraz.ac.at X-Newsreader: Trumpet for Windows [Version 1.0 Rev A] Does anybody know how to convert a Bruker datafile in the UXNMR format (the format of the modern 600 MHz machines) to Felix 2.05? I have got some spectra in this format but have only Felix 2.05 for processing at my disposal. Please send any suggestions to sengst@bkfug.kfunigraz.ac.at Many thanks in advance Helmut Sengstschmid Uni Graz, Austria From owner-structural-nmr@net.bio.net Sun Mar 05 22:00:00 1995 Path: biosci!NMR400.BGSU.EDU!dychen From: dychen@NMR400.BGSU.EDU (D. Y. Chen) Newsgroups: bionet.structural-nmr Subject: data sets converting Date: 6 Mar 1995 12:42:07 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 11 Sender: daemon@net.bio.net Distribution: world Message-ID: <9503062042.AA10970@nmr400.bgsu.edu.noname> NNTP-Posting-Host: net.bio.net hello everyone, we would like to use felix230 to process nmr data sets collected from ge instruments, but have problems of converting the data format. we have both omega500 data and gn500 data of ge instruments and tried to run programs from the gifts directory of felix230 package (omega, geload and genet), we haven't had any success yet. can any one of you with more experience give us some suggestion? or are there other programs do the same type of converting we should be aware of? many thanks to any help you can offer. later!! chen From owner-structural-nmr@net.bio.net Sun Mar 05 22:00:00 1995 Path: biosci!LARRY.BIOP.UMICH.EDU!wang From: wang@LARRY.BIOP.UMICH.EDU Newsgroups: bionet.structural-nmr Subject: Re: Bruker UXNMR -> Felix ? Date: 6 Mar 1995 10:31:00 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 30 Sender: daemon@net.bio.net Distribution: world Message-ID: References: NNTP-Posting-Host: net.bio.net You can use the utility program "ux2ftnmr" that comes with the Felix program tape. It is usually in the "gifts" directory. On Sat, 4 Mar 1995, Sengstschmid wrote: > > Does anybody know how to convert a Bruker datafile in the UXNMR format (the > format of the modern 600 MHz machines) to Felix 2.05? > I have got some spectra in this format but have only Felix 2.05 for processing > at my disposal. > > Please send any suggestions to sengst@bkfug.kfunigraz.ac.at > > Many thanks in advance > > Helmut Sengstschmid > Uni Graz, Austria > ################################################################### Hong Wang Phone: (313) 764-8972 Univ. Michigan Email: wang@larry.biop.umich.edu ################################################################### From owner-structural-nmr@net.bio.net Mon Mar 06 22:00:00 1995 Path: biosci!SERVIDOR.DGSCA.UNAM.MX!habib From: habib@SERVIDOR.DGSCA.UNAM.MX ("Ra\l Enr\quez Habib") Newsgroups: bionet.structural-nmr Subject: Request Date: 7 Mar 1995 12:46:47 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 16 Sender: daemon@net.bio.net Distribution: world Message-ID: <9503072048.AA08815@servidor.dgsca.unam.mx> NNTP-Posting-Host: net.bio.net I need to contact NMR scientists and users to provide with information about the access policy to nmr instrumentation in major NMR sites. If possible, this will be appreciated. Is there any access to this newsgroup through Internet? ***************************************** * Dr. Raśl Enr’quez Habib * * Instituto de Qu’mica, UNAM * * Cd. Universitaria, CIrcuito Exterior * * MŽxico, D. F. 04510 * * tel (525) 6 22 44 04 * e-mail: servidor.unam.mx * ***************************************** La vie est dure. Nes-ce-pas?......... From owner-structural-nmr@net.bio.net Mon Mar 06 22:00:00 1995 Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!news.sprintlink.net!uunet!in1.uu.net!psinntp!rebecca!news From: shelton bank Newsgroups: bionet.structural-nmr Subject: unusual nmr uses Date: 6 Mar 1995 20:32:15 GMT Organization: The University at Albany Lines: 3 Message-ID: <3jfrgf$fol@rebecca.albany.edu> NNTP-Posting-Host: bankpc.chem.albany.edu I am collecting a file on 'unusual uses of nmr spectroscopy and I would greatly appreciate contributions. References would be very helpful and the more unusual the more interesting to me. From owner-structural-nmr@net.bio.net Tue Mar 07 22:00:00 1995 Path: biosci!MED.UNC.EDU!campbesl From: campbesl@MED.UNC.EDU (Sharon Campbell-Burke) Newsgroups: bionet.structural-nmr Subject: postdoctoral position Date: 8 Mar 1995 14:30:15 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 21 Sender: daemon@net.bio.net Distribution: world Message-ID: <9503082230.AA02447@hasty.med.unc.edu> NNTP-Posting-Host: net.bio.net The University of North Carolina Comprehensive Cancer Center has a basic research postdoctoral fellowship program which fills 14 competitive slots/year for interdisciplinary studies applied to cancer research. As a preceptor for this program, I am interested in identifying candidates for a postdoctoral position in my laboratory at the U. of North Carolina, who are interested in applying NMR spectroscopy to investigate structure/function relationships associated with biomolecules involved cell signaling pathways that mediate control of cell growth and differentiation. Because of funding restrictions, only United States citizens or permanent residents can receive a fellowhip. Postdoctoral fellows are given one-year and two-year appointments. The university is equipped with state-of-the-art NMR facilities. For more information, please respond either by email or to the following address: Sharon Campbell-Burk Assistant Professor Department of Biochemistry and Biophysics U. of North Carolina Chapel Hill, North Carolina 27599-7260 From owner-structural-nmr@net.bio.net Tue Mar 07 22:00:00 1995 Path: biosci!NODDY.CM.UTEXAS.EDU!dave From: dave@NODDY.CM.UTEXAS.EDU (david w. hoffman) Newsgroups: bionet.structural-nmr Subject: (none) Date: 8 Mar 1995 12:59:50 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 16 Sender: daemon@net.bio.net Distribution: world Message-ID: <9503082059.AA03629@noddy.cm.utexas.edu> NNTP-Posting-Host: net.bio.net Dear NMR-netters, I would like to find a listing of H-1, C-13 and N-15 chemical shifts and coupling constants (1,2, and 3 bond, homo & heteronuclear) for the amino acids, nucleotides and perhaps some common precursors. Does anyone have a suggestion as to a particularly complete and up-to-date source? Thanks. Dave Hoffman dave@noddy.cm.utexas.edu From owner-structural-nmr@net.bio.net Tue Mar 07 22:00:00 1995 Path: biosci!daresbury!not-for-mail From: "D.GUTHRIE" Newsgroups: bionet.structural-nmr Subject: GE to Felix Date: 8 Mar 1995 17:15:19 -0000 Lines: 15 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <3jkon7$ib0@mserv1.dl.ac.uk> Original-To: str-nmr@dl.ac.uk Re message from dychen@NMR400.BGSU.EDU > hello everyone, > we would like to use felix230 to process nmr data sets collected from ge > instruments, but have problems of converting the data format. > we have both omega500 data and gn500 data of ge instruments and tried to > run programs from the gifts directory of felix230 package (omega, geload > and genet), we haven't had any success yet. can any one of you with more > experience give us some suggestion? or are there other programs do the same > type of converting we should be aware of? many thanks to any help you can > offer. later!! chen This exactly mirrors our experience. Has anyone succeeded? David Guthrie From owner-structural-nmr@net.bio.net Tue Mar 07 22:00:00 1995 Newsgroups: bionet.structural-nmr Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!EU.net!uknet!festival!leeds.ac.uk!news From: garyt@resumix.portal.com (Gary Thompson) Subject: Re: data sets converting Message-ID: <1995Mar8.124716.8267@leeds.ac.uk> Reply-To: garyt@resumix.portal.com Organization: Resumix, Inc., Santa Clara, CA Date: Wed, 8 Mar 1995 12:47:14 +0000 (GMT) References: <9503062042.AA10970@nmr400.bgsu.edu.noname> Lines: 51 In article AA10970@nmr400.bgsu.edu.noname, dychen@NMR400.BGSU.EDU (D. Y. Chen) writes: > > hello everyone, > we would like to use felix230 to process nmr data sets collected from ge > instruments, but have problems of converting the data format. > we have both omega500 data and gn500 data of ge instruments and tried to > run programs from the gifts directory of felix230 package (omega, geload > and genet), we haven't had any success yet. can any one of you with more > experience give us some suggestion? or are there other programs do the same > type of converting we should be aware of? many thanks to any help you can > offer. later!! chen > Hi we have a omega500 and export files on the sun as follows (ours is a SUN 3) 1. to export the file from the omega format into a non proprietary one type export -ff filename.raw filename.header filename.body filename.raw is the name of your omega spectrum or FID file filename.header is an ascii header which contains the exported spectral parameters filename.body is a binary file containing the exported spectrum/FID data as floating point numbers note: filename.header and filenname.body must not exist when you you issue the export command otherwise you will get an error 2. to load the fileto a felix data file type geload filename.header filename.body filename.dat filename.header is from export -ff filename.body is from export -ff filename.dat is the exported file in the felix format and should not exist on disk before you issue the geload command that's all ther is to it!!! however I have written a script that does all this in cleaner manner which I can send you if you want gary NB on a more important point does anyone know what the file format of raw omega data files is. At some point we may want to re console our machine to a Jeol, Bruker, Varian etc and we have archived everything as raw omega files.... This means we will have to have a conversion fest on several thousand data files before we could ditch the old console, something I would wish to avoid.... so really it would be useful to have the format of thefile or the source of export so we could run it on the sparc stations we have or whatever replaces them in the future. From owner-structural-nmr@net.bio.net Wed Mar 08 22:00:00 1995 Newsgroups: bionet.structural-nmr Path: biosci!rutgers!uwm.edu!vixen.cso.uiuc.edu!howland.reston.ans.net!swrinde!pipex!sunic!sunic.sunet.se!news.lth.se!news.lu.se!heimdall!bryan From: bryan@fkem2.lth.se (Bryan Finn) Subject: Re: GE to Felix Message-ID: <1995Mar9.085414.25549@nomina.lu.se> Sender: news@nomina.lu.se (USENET News System) Nntp-Posting-Host: heimdall.fkem2.lth.se Reply-To: bryan@fkem2.lth.se Organization: Physical Chemistry 2, Lund University, Sweden References: <3jkon7$ib0@mserv1.dl.ac.uk> Date: Thu, 9 Mar 1995 08:54:14 GMT Lines: 52 In article ib0@mserv1.dl.ac.uk, "D.GUTHRIE" () writes: > Re message from dychen@NMR400.BGSU.EDU > > > hello everyone, > > we would like to use felix230 to process nmr data sets collected from ge > > instruments, but have problems of converting the data format. > > we have both omega500 data and gn500 data of ge instruments and tried to > > run programs from the gifts directory of felix230 package (omega, geload > > and genet), we haven't had any success yet. can any one of you with more > > experience give us some suggestion? or are there other programs do the same > > type of converting we should be aware of? many thanks to any help you can > > offer. later!! chen > > This exactly mirrors our experience. Has anyone succeeded? > > David Guthrie For the Omega500 we are using the export command (located in ...base/genmr/bin) as: export -f f fidfile fidfile.header fidfile.data. This works most smoothly when one is logged in to the Omega program since all of the paths and so forth are then set automatically. Then we use the omega command from the Felix gifts and feed it the header and data files when it prompts for them. (I've also rewritten the omega command to take the filenames on the command line if anyone is interested in that, it's useful for batch conversion). This will leave you with a felix .dat file in the OLD Felix format, however it is easy enough for Felix to read it using the re command instead of the rn command. Good luck! Bryan ___________________________________________________________________ | | | Dr. Bryan Finn | | Department of Physical Chemistry 2 Tel: +46-46-108254 | | Chemical Center Fax: +46-46-104543 | | University of Lund | | POB 124 | | S-221 00 Lund Sweden e-mail: bryan@freja.fkem2.lth.se | |_________________________________________________________________| From owner-structural-nmr@net.bio.net Wed Mar 08 22:00:00 1995 Path: biosci!rutgers!uwm.edu!vixen.cso.uiuc.edu!howland.reston.ans.net!swrinde!pipex!sunic!sunic.sunet.se!umdac!news From: peterl@umdix.umdc.umu.se (Peter Lundberg) Newsgroups: bionet.structural-nmr Subject: List of Educational NMR Software Date: 9 Mar 1995 10:05:12 GMT Organization: Phys Chem, University of Umea, Sweden Lines: 18 Sender: -Not-Authenticated-[2976] Message-ID: <3jmjso$5sn@kitten.umu.se> NNTP-Posting-Host: plgmac.chem.umu.se X-Posted-From: InterNews 1.0.1@plgmac.chem.umu.se Xdisclaimer: No attempt was made to authenticate the sender's name. Dear everyone, I have finally compiled a listing containing brief descriptions of 'Educational NMR Software', as well as where to get them. If anyone is interested in a copy I could mail a Word (Mac) or an ASCII version, just send me a message. There are more than 70 entries on the list. Feel free to deposit the compilation wherever... Just my 2 oere. 73, Peter O==O ================================== O==O O==O Peter Lundberg O==O O==O Email: peterl@umdix.umdc.umu.se O==O O==O ============761.91141============= O==O From owner-structural-nmr@net.bio.net Thu Mar 09 22:00:00 1995 Path: biosci!bcm!cs.utexas.edu!news.sprintlink.net!uunet!in1.uu.net!newsfeed.ACO.net!fstgds15.tu-graz.ac.at!balu.kfunigraz.ac.at!email.kfunigraz.ac.at!zangger From: zangger@email.kfunigraz.ac.at (Klaus Zangger) Newsgroups: bionet.structural-nmr Subject: prochirality of glycine Date: Thu, 9 Mar 1995 08:13:48 Organization: Institut für organische Chemie Lines: 10 Distribution: world Message-ID: NNTP-Posting-Host: boch04.kfunigraz.ac.at Keywords: glycine, prochirality, X-Newsreader: Trumpet for Windows [Version 1.0 Rev A] Does anybody know how to assign the prochiral methylene-protons in glycine residues of peptides by NMR? Selective deuteration is not within the realms of possibility for us. I think that the method employed for the assignment of diastereotopic beta-protons (using the sizes of vicinal coupling-constants) is impossible in this case as there is no chiral center near the glycine alpha-protons. Is this assumption correct? Thanks in advance, Klaus Zangger. From owner-structural-nmr@net.bio.net Thu Mar 09 22:00:00 1995 Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!pipex!oleane!jussieu.fr!fdn.fr!uunet!in1.uu.net!world!news.bu.edu!news3.near.net!yale!usenet From: abonvin@volta.csb.yale.edu ("Alexandre Bonvin") Newsgroups: bionet.structural-nmr Subject: Re: chemical shifts Date: 9 Mar 1995 20:08:59 GMT Organization: Yale University, Department of Computer Science, New Haven, CT Lines: 32 Distribution: world Message-ID: <3jnn8r$2js@babyblue.cs.yale.edu> References: <9503082059.AA03629@noddy.cm.utexas.edu> NNTP-Posting-Host: volta.csb.yale.edu In article <9503082059.AA03629@noddy.cm.utexas.edu> dave@NODDY.CM.UTEXAS.EDU (david w. hoffman) writes: > Dear NMR-netters, > > I would like to find a listing of H-1, C-13 > and N-15 chemical shifts and coupling constants > (1,2, and 3 bond, homo & heteronuclear) for the > amino acids, nucleotides and perhaps some common > precursors. > > Does anyone have a suggestion as to a particularly > complete and up-to-date source? > > Thanks. > > Dave Hoffman > dave@noddy.cm.utexas.edu Check J. Biomol. NMR 5 (1995) 67-81 for a recent reference. ========================================================================== ===== | Alexandre Bonvin PhD | Phone: (203) 432-5066 | | Mol. Biophys. & Biochemistry | Fax: (203) 432-6946 | | Yale University, PO Box 208114 | Email: abonvin@laplace.csb.yale.edu | | New Haven CT 06511, USA | | ========================================================================== ===== From owner-structural-nmr@net.bio.net Thu Mar 09 22:00:00 1995 Path: biosci!daresbury!not-for-mail From: "Peter LUNDBERG" Newsgroups: bionet.structural-nmr Subject: EduNMRSoft -> Date: 10 Mar 1995 11:56:13 -0000 Lines: 28 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <3jpeot$3m3@mserv1.dl.ac.uk> Original-To: ammrl@bloch.cchem.berkeley.edu, bruker-users-mail@bloch.cchem.berkeley.edu, CHEMED-L@UWF.CC.UWF.EDU, str-nmr@dl.ac.uk, varnet@nmr.varian.ch Dear Spectroscopists, I have tried to send the list to everyone who requested it. However, if you haven't got a copy you could also try to get it from (thanks to Udo Guenther and David Grindrod): 'ftp.bruker.de (149.236.1.1)' /pub/nmr/processing/EduNMRSoft.readme /pub/nmr/processing/EduNMRSoft.ascii.gz /pub/nmr/processing/EduNMRSoft.wordmac.gz http://www.NMR.EMBL-Heidelberg.DE/NMR/PUBSoftware.html 73, Peter Ps. My mailbox hit the ceiling... ;-) @ @ .. ==================================================ooOO==========OOoo====== | Peter Lundberg Ph: (+46 90) 16 59 73 | | Phys Chem, U of Umea Fax: (+46 90) 16 77 79 | | S-901 87 Umea Email: PeterL@umdix.umdc.umu.se | | Sweden Efax: PeterLundberg@f090167779.fax.sunet.se | ========================================================================== () "To a poet nothing is useless." (SJ) ooOO OOoo From owner-structural-nmr@net.bio.net Fri Mar 10 22:00:00 1995 Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!torn!ccshst05.cs.uoguelph.ca!ccshst01.cs.uoguelph.ca!cfares From: cfares@uoguelph.ca (Christophe Fares) Newsgroups: bionet.structural-nmr Subject: PS-COSY pulse sequence Date: 10 Mar 1995 22:25:13 GMT Organization: University of Guelph Lines: 14 Message-ID: <3jqjk9$fh0@ccshst05.cs.uoguelph.ca> NNTP-Posting-Host: ccshst01.cs.uoguelph.ca X-Newsreader: TIN [version 1.2 PL2] Dear NMR-philes, I'm rather new in this field and I was asked to write up the pulse sequence for a Phase-Sensitive COSY experiment. Does anyone know where I could find this sequence (c/ phase-cycling and CYCLOPS) so that I can double-check what I came up with? I would also need other fancy sequences such as MQ-COSY, TOCSY, ROESY, etc. for later on. NMR-ci beaucoup in advance, cfares@uoguelph.ca or mox@physics.uoguelph.ca Xophe From owner-structural-nmr@net.bio.net Fri Mar 10 22:00:00 1995 Newsgroups: bionet.structural-nmr,sci.techniques.mag-resonance Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!newsserver.jvnc.net!nntpserver.pppl.gov!princeton!frickkip16.princeton.edu!user From: warren@chemvax.princeton.edu (Warren S. Warren) Subject: Re: Postdoctoral position available Message-ID: Originator: news@hedgehog.Princeton.EDU Sender: news@Princeton.EDU (USENET News System) Nntp-Posting-Host: frickkip16.princeton.edu Organization: Princeton University References: Date: Thu, 9 Mar 1995 13:53:51 GMT Lines: 28 Xref: biosci bionet.structural-nmr:483 sci.techniques.mag-resonance:734 In article , warren@chemvax.princeton.edu (Warren S. Warren) wrote: > A postdoctoral position is available immediately for work on exploration > of intermolecular multiple-quantum coherences in NMR, to replace a > postdoctoral worker who has just accepted a faculty position. Recent > papers (including W. S. Warren, W. Richter, A. H. Andreotti and S. > Farmer, Science 262, 2005(1993) and W. Richter, S. Lee, W. S. Warren and > Q. He, Science 267,654(1995)) have shown that concentrated solutions, such > as proteins in water, can exhibit strong intermolecular cross-peaks and > multiple-quantum coherences due to the dipolar couplings between distant > molecules and due to the limitations of the high temperature > approximation. We have also shown that these peaks can be used as an > imaging technique. We are currently working on a variety of theoretical > and experimental extensions of these results. > > A background in biological NMR spectroscopy, plus a firm grasp of the > density matrix framework of NMR, are both helpful. Please contact me for > further information. Somehow my return address got deleted- I can be contacted at the Department of Chemistry, Princeton University, Princeton NJ 08544-1009, or by email. -- __ / 2 Professor Warren S. Warren | ^ | Department of Chemistry, Princeton University \/ \/ Princeton, NJ 08544-1009 From owner-structural-nmr@net.bio.net Fri Mar 10 22:00:00 1995 Newsgroups: bionet.structural-nmr,sci.techniques.mag-resonance Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!newsserver.jvnc.net!nntpserver.pppl.gov!princeton!frickkip16.princeton.edu!user From: warren@chemvax.princeton.edu (Warren S. Warren) Subject: Postdoctoral position available Message-ID: Originator: news@hedgehog.Princeton.EDU Sender: news@Princeton.EDU (USENET News System) Nntp-Posting-Host: frickkip16.princeton.edu Organization: Princeton University Date: Thu, 9 Mar 1995 13:44:08 GMT Lines: 16 Xref: biosci bionet.structural-nmr:482 sci.techniques.mag-resonance:733 A postdoctoral position is available immediately for work on exploration of intermolecular multiple-quantum coherences in NMR, to replace a postdoctoral worker who has just accepted a faculty position. Recent papers (including W. S. Warren, W. Richter, A. H. Andreotti and S. Farmer, Science 262, 2005(1993) and W. Richter, S. Lee, W. S. Warren and Q. He, Science 267,654(1995)) have shown that concentrated solutions, such as proteins in water, can exhibit strong intermolecular cross-peaks and multiple-quantum coherences due to the dipolar couplings between distant molecules and due to the limitations of the high temperature approximation. We have also shown that these peaks can be used as an imaging technique. We are currently working on a variety of theoretical and experimental extensions of these results. A background in biological NMR spectroscopy, plus a firm grasp of the density matrix framework of NMR, are both helpful. Please contact me for further information. From owner-structural-nmr@net.bio.net Fri Mar 10 22:00:00 1995 Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!spool.mu.edu!caen!newsxfer.itd.umich.edu!newsrelay.iastate.edu!hobbes.physics.uiowa.edu!news.ksu.ksu.edu!bubba.ucc.okstate.edu!amort2.biochem.okstate.edu!edd From: Ed Davis Newsgroups: bionet.structural-nmr Subject: Re: PS-COSY pulse sequence Date: 11 Mar 1995 15:10:07 GMT Organization: Oklahoma State University Lines: 27 Distribution: world Message-ID: <3jsegf$15jo@bubba.ucc.okstate.edu> References: <3jqjk9$fh0@ccshst05.cs.uoguelph.ca> NNTP-Posting-Host: amort2.biochem.okstate.edu X-Newsreader: Nuntius Version 1.2 X-XXMessage-ID: X-XXDate: Sat, 11 Mar 1995 15:04:06 GMT What kind NMR spectrometer do you use? All pulse sequences which you interested are standard sequences. They are in the manual and sequences lib. of your machine. Subject: PS-COSY pulse sequence From: Christophe Fares, cfares@uoguelph.ca Date: 10 Mar 1995 22:25:13 GMT In article <3jqjk9$fh0@ccshst05.cs.uoguelph.ca> Christophe Fares, cfares@uoguelph.ca writes: >Dear NMR-philes, > >I'm rather new in this field and I was asked to write up the pulse >sequence for a Phase-Sensitive COSY experiment. Does anyone know where I >could find this sequence (c/ phase-cycling and CYCLOPS) so that I can >double-check what I came up with? I would also need other fancy sequences >such as MQ-COSY, TOCSY, ROESY, etc. for later on. > >NMR-ci beaucoup in advance, > >cfares@uoguelph.ca or mox@physics.uoguelph.ca > >Xophe From owner-structural-nmr@net.bio.net Fri Mar 10 22:00:00 1995 Path: biosci!ELAN.BC.NTU.EDU.TW!chuang From: chuang@ELAN.BC.NTU.EDU.TW Newsgroups: bionet.structural-nmr Subject: Help! XPLOR topology and parameter Date: 10 Mar 1995 17:42:52 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 27 Sender: daemon@net.bio.net Distribution: world Message-ID: <9503111745.AA01647@elan.bc.ntu.edu.tw> NNTP-Posting-Host: net.bio.net Dear Netters: I am a XPLOR beginer and I am wanted to build a drug named Echinomycin. It is a cyclized octapeptide with two quinoxaline. We wanted to run molecular dynamics with a system of this comp binding to DNA. Does any one with the XPLOR experience can help me in building this molecule? I want to generate structure file of this molecule in XPLOR for further calculation. I am not clear in writing a file for generating structure, especially the parameter for the quinoxaline. Any suggestion will be appriciated. Thanks all. CCChuang ============================================================ Chyh-Chong Chuang Institude of Biological Chemistry, Academia Sinica,Taipei, Taiwan ------------------------------------------------------------ P.O. BOX 23-106, Phone: (02) 362-0261 ext 2021 Taipei, Taiwan, Fax: (02) 363-5038 R.O.C. E-Mail: chuang@bc.ntu.edu.tw ============================================================ From owner-structural-nmr@net.bio.net Sat Mar 11 22:00:00 1995 Newsgroups: bionet.structural-nmr Path: biosci!rutgers!rockyd!notes From: sali@tamika.rockefeller.edu (Andrej Sali) Subject: ANNOUNCE: MODELLER new version (homology protein modeling) X-Nntp-Posting-Host: tamika.rockefeller.edu Message-ID: Keywords: homology comparative protein modeling Sender: notes@rockyd.rockefeller.edu (News Administrator) Organization: Rockefeller University Date: Sun, 12 Mar 1995 03:39:06 GMT Lines: 83 ANNOUNCE: MODELLER new version (homology protein modeling) MODELLER PROTEIN MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS MODELLER 12, December 31, 1994 Copyright(c) 1989-1994 Andrej Sali All Rights Reserved Written by Andrej Sali Birkbeck College, University of London, London, UK Imperial Cancer Research Fund, London, UK Harvard University, Cambridge, USA Andrej Sali, Box 270, The Rockefeller University, 1230 York Avenue, New York, NY 10021, USA. Tel: (212) 327 7550. Fax: (212) 327 7540. E-mail: sali@rockvax.rockefeller.edu. ** DESCRIPTION: MODELLER is most frequently used for homology or comparative modeling of protein three-dimensional structure: the user provides an alignment of a sequence to be modeled with known related structures and MODELLER will automatically calculate a full-atom model. More generally, MODELLER models protein 3D structure by satisfaction of spatial restraints (A. Sali & T.L. Blundell. J.Mol.Biol. 234, 779-815, 1993). In principle, the restraints can be derived from a number of different sources. These include homologous structures (comparative modeling), NMR experiments (NMR refinement), rules of secondary structure packing (combinatorial modeling), cross-linking experiments, fluorescence spectroscopy, image reconstruction in electron microscopy, site-directed mutagenesis, intuition, residue-residue and atom-atom potentials of mean force, etc. The output of MODELLER is a 3D structure of a protein that satisfies these restraints as well as possible. The optimization is carried out by the variable target function procedure employing methods of conjugate gradients and molecular dynamics with simulated annealing. MODELLER can also do several other tasks, including multiple comparison of protein sequences and/or structures, clustering, and searching of sequence databases. The program is described in a 120-page manual. MODELLER is written in Fortran and is meant to run on a UNIX system. ** DISTRIBUTION: MODELLER is available free of charge to academic non-profit institutions. First, please use the anonymous ftp account on tammy.harvard.edu (IP 128.103.96.19) to copy at least the following files from the pub/modeller directory to your computer: the license form (PostScript file academic-license.ps), the encrypted distribution file that contains the data files necessary to run MODELLER (modeller12-data.tar.Z.cr), and an executable for each machine type and memory size that you need (described in file INSTALLATION). Next, print, sign, and mail or fax the license form to Andrej Sali. You will then receive the encryption key (MODELLER_KEY) with which you will be able to unpack the encrypted distribution file. See file INSTALLATION for installation instructions. An interface to MODELER is available as part of QUANTA, an interactive molecular modeling program with many tools for protein modeling and structural analysis. QUANTA also includes interfaces to CHARMm for molecular dynamics simulations and X-PLOR for NMR and X-ray structure determination. QUANTA provides a useful graphical interface to MODELLER that facilitates preparation of input files for MODELLER as well as analysis of the results produced by MODELLER; in particular, the preparation of an alignment and evaluation of the models are made much easier by QUANTA/MODELLER combination. If you are interested in QUANTA, please contact Ms. Jo Ellen Collins at Molecular Simulations Inc, 16 New England Executive Park, Burlington, MA 01803-5297, tel: (617) 229 9800, fax: (617) 229 9899, email: jcollins@msi.com. ** CONTENTS: src\ sources or executables for MODELLER; modlib\ libraries and data files for the programs; scripts\ script files used to compile and use MODELLER; doc\ MODELLER documentation; Makefile Makefile for compiling/installing MODELLER modules; modeller12.README this file; INSTALLATION how to install MODELLER; Install compilation and installation script relying on Makefile; tests\ tests and examples; From owner-structural-nmr@net.bio.net Sun Mar 12 22:00:00 1995 Path: biosci!daresbury!not-for-mail From: Christian Pruvost Newsgroups: bionet.structural-nmr Subject: Re:Help_XPLOR Date: 13 Mar 1995 16:45:44 -0000 Lines: 155 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <3k1sro$n4f@mserv1.dl.ac.uk> Original-To: str-nmr@dl.ac.uk Hi, I used Xplor a few months ago and I hope that this will be a help I give you 2 files (generate.inp and generate_template.inp) that I used. They are coming for the Tutorial of the software. Just make a test! kris. 1)Here is a way how to construct template with Xplor3.1 You just need to give the sequence. I choose ALA ALA LYS ASP LEU LEU LYS ALA ASP ASP for the example. $TOPPAR is a variable containing the path for parameters and topology files you can define it by setenv TOPPAR /corresponding_path 2)The second diffculty is for the cycle. It's not very well explain in the documentation but there's something that may help you to construct a peptidic bond between the NTer and the CTer residue. X-PLOR Axel T. Brunger version 3.1 a system for XRay Crystallography and NMR page 54 #3.7.4 (Example: A polypeptide Chain with an unknown section) {------------------ cut here : File generate.inp ---------------------} topology @TOPPAR:topallhdg.pro end {*Read topology file *} segment name=" " chain @TOPPAR:toph19.pep {*Read peptide bond file*} { {-------------- construct backbone -------------} LINK PEPP head - * tail + PRO end { link to PRO } LINK PEPT head - * tail + * end ! FIRSt PROP tail + PRO end { nter for PRO } ! FIRSt NTER tail + * end ! LAST CTER head - * end {-----------------------------------------------------------} } sequence ALA ALA LYS ASP LEU LEU LYS ALA ASP ASP end end end evaluate ( $filename = "/directory/toto.psf" ) {adjust directory } write structure output=$filename end stop { ------------------ cut here : EOF generate.inp ---------------------} { ------------------ cut here : File generate.inp ---------------------} {====>} structure @/directory/toto.psf end {*Read structure file.*} parameter {====>} @TOPPAR:parallhdg.pro {*Read parameters.*} end topology presidue NDIS delete bond 1SG 2SG delete angle 1CB 1SG 2SG delete angle 1SG 2SG 2CB end end {====>} {*If protein contains S-S bridges, appropriately modify and*} {*then uncomment the following lines. *} !patch ndis reference=1=( residue 5 ) reference=2=( residue 55 ) end !patch ndis reference=1=( residue 14 ) reference=2=( residue 38 ) end !patch ndis reference=1=( residue 30 ) reference=2=( residue 51 ) end vector ident (x) ( all ) vector do (x=x/10.) ( all ) vector do (y=random(0.5) ) ( all ) vector do (z=random(0.5) ) ( all ) vector do (fbeta=50) (all) {*Friction coefficient, in 1/ps.*} vector do (mass=100) (all) {*Heavy masses, in amus.*} parameter nbonds cutnb=5.5 rcon=20. nbxmod=-2 repel=0.9 wmin=0.1 tolerance=1. rexp=2 irexp=2 inhibit=0.25 end end flags exclude * include bond angle vdw end minimize powell nstep=50 nprint=10 end flags include impr end minimize powell nstep=50 nprint=10 end dynamics verlet nstep=50 timestep=0.001 iasvel=maxwell firsttemp= 300. tcoupling = true tbath = 300. nprint=50 iprfrq=0 end parameter nbonds rcon=2. nbxmod=-3 repel=0.75 end end minimize powell nstep=100 nprint=25 end dynamics verlet nstep=500 timestep=0.005 iasvel=maxwell firsttemp= 300. tcoupling = true tbath = 300. nprint=100 iprfrq=0 end flags exclude vdw elec end vector do (mass=1.) ( name h* ) hbuild selection=( name h* ) phistep=360 end flags include vdw elec end minimize powell nstep=200 nprint=50 end {*Write coordinates.*} remarks produced by nmr/generate_template.inp write coordinates output=generate_template.pdb end {<= your .pdb file} stop { ------------------ cut here : EOF generate.inp ---------------------} From owner-structural-nmr@net.bio.net Sun Mar 12 22:00:00 1995 Path: biosci!agate!howland.reston.ans.net!newsjunkie.ans.net!newstf01.news.aol.com!newsbf02.news.aol.com!not-for-mail From: lankindc@aol.com (Lankindc) Newsgroups: bionet.structural-nmr Subject: Re: List of Educational NMR Software Date: 12 Mar 1995 21:25:12 -0500 Organization: America Online, Inc. (1-800-827-6364) Lines: 7 Sender: root@newsbf02.news.aol.com Message-ID: <3k0ae8$ca@newsbf02.news.aol.com> References: <3jmjso$5sn@kitten.umu.se> Reply-To: lankindc@aol.com (Lankindc) NNTP-Posting-Host: newsbf02.mail.aol.com I would be interested in receiving a copy of your compilation of NMR software. Regards, Dave Lankin Lankindc@aol.com From owner-structural-nmr@net.bio.net Mon Mar 13 22:00:00 1995 Path: biosci!RD.ORION.ORION.mailnet.fi!PIERO.POLLESELLO From: PIERO.POLLESELLO@RD.ORION.ORION.mailnet.fi Newsgroups: bionet.structural-nmr Subject: Unusual NMR applications Date: 14 Mar 1995 01:55:22 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 21 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net Unusual NMR applications Two papers in Journal of Applied Phycology (c.i.=0.750) describe the use of NMR for the screening of the various lipid soluble molecules in different species of Algae. NMR is proposed as a useful technique to the chemotaxonomic identification of different algal species. Carotenoids, fatty acids, sterols and chlorophylls could be studied in row lipid extract from different algae or algal samples obtained from polluted and unpolluted areas. 1H and 13C-NMR 1D and 2D techniques are applied to the detection and quantifications of different lipids. Pollesello, P. et al. (1992) J.Appl.Phycol. 4: 315-322 Pollesello, P. et al. (1992) J.Appl.Phycol. 4: 149-155 Piero Pollesello, Ph.D. Institute of Biomedicine University of Helsinki Siltavuorenpenger 10 P.O.box 8 (University of Helsinki) FIN-00014 Helsinki Finland FAX: int-358-0-429-2924 From owner-structural-nmr@net.bio.net Tue Mar 14 22:00:00 1995 Path: biosci!TWINS.LGCHEM.CO.KR!JONGOK From: JONGOK@TWINS.LGCHEM.CO.KR Newsgroups: bionet.structural-nmr Subject: (none) Date: 14 Mar 1995 22:40:00 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 12 Sender: daemon@net.bio.net Distribution: world Message-ID: <950315154556.260@TWINS.LGCHEM.CO.KR> NNTP-Posting-Host: net.bio.net Subject: Address changed Please change my e-mail address in the users list from jongok@twins.lucky.co.kr to jongok@twins.lgchem.co.kr as the name of our company has been changed from Lucky to LG chem. Jong Hoa Ok Senior Scientist Biotech Institute LG Chem Research Park From owner-structural-nmr@net.bio.net Thu Mar 16 22:00:00 1995 Path: biosci!BIOCINDY1.UNIZH.CH!abienz From: abienz@BIOCINDY1.UNIZH.CH ("Alexander Bienz") Newsgroups: bionet.structural-nmr Subject: subscribe Date: 17 Mar 1995 06:22:45 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 17 Sender: daemon@net.bio.net Distribution: world Message-ID: <9503171521.ZM27331@biocindy1.unizh.ch> NNTP-Posting-Host: net.bio.net subscribe -- ---------------------------------------------------------- + + | Alexander Bienz | | Biochemisches Institut Uni Zuerich | | Gruppe Gutte | | Winterthurerstr. 190 | | 8057 Zuerich | | Tel: 01/257 55 35 | | Fax: 01/363 79 47 | | e-mail: abienz@bioc.unizh.ch | | abienz@biocindy1.unizh.ch | + + ------------------------------------------------------------ From owner-structural-nmr@net.bio.net Sun Mar 19 22:00:00 1995 Path: biosci!CONVEX.OX.AC.UK!bhardy From: bhardy@CONVEX.OX.AC.UK (Barry Hardy) Newsgroups: bionet.structural-nmr Subject: NET SUMMER POSTER SESSION on NMR Date: 20 Mar 1995 15:18:52 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 31 Sender: daemon@net.bio.net Distribution: world Message-ID: <2321.9503202317@convex.ox.ac.uk> NNTP-Posting-Host: net.bio.net NET SUMMER POSTER SESSION on NMR ******************************** Following up on discussions at last year's NMR Gordon we are holding a summer poster session from June 12 to June 16. We are keeping the event very simple so that it will allow people to get involved easily and not take much time from schedules. Participants will mount an NMR-related poster on the Web and engage in email-based discussions on the poster material during the week. To participate you need to send one of us the following two pieces of information by June 1. (Please title your email with a subject heading: 'NMR Summer Poster Session'.) 1) The Web site location (URL) where you will serve your poster. 2) Your email address to be used for listserv-based discussions. We will format Web pages which will link into the posters and create a listserver for email-based discussions. We will notify all participants what these addresses are. If you do not have the ability to mount a poster on the Web yourself please email bhardy@convex.ox.ac.uk. We should be able to aide you in loading a poster. Bryan Finn, bryan@freja.fkem2.lth.se Kevin Gardner, gardner@zinc.csb.yale.edu Barry Hardy, bhardy@convex.ox.ac.uk From owner-structural-nmr@net.bio.net Tue Mar 21 22:00:00 1995 Path: biosci!BIOC01.UTHSCSA.EDU!raman From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN) Newsgroups: bionet.structural-nmr Subject: ISMAR-95 deadline approaching.. Date: 22 Mar 1995 11:56:57 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 59 Sender: daemon@net.bio.net Distribution: world Message-ID: <9503221956.AA11286@bioc01.uthscsa.edu> NNTP-Posting-Host: net.bio.net Fellow Spectroscopists: Fellow spectroscopists, Australia from 16-21 July, are fast approaching. Abstracts are due by 1 April which is also the deadline for early registration. For all who are going to ENC and planning to come to ISMAR-95, I will be happy to answer any of your travel questions, collect any documentation, etc, in Boston during next week. ENC have generously offered us space to distribute possible during the breaks. Otherwise, I will be in Billerica on Saturday, at home, Barbara Messerle, who is the program and venues co-ordinator for ISMAR-95, will endeavour to respond to urgent enquiries from tomorrow afternoon until 2 April. We are working on a Web browser which will provide information about the scientific program, hotel locations, etc, and I will post details as soon as they are available. or preferably on both occasions. Bill Bubb ********************************** Dr Bill Bubb Secretary, ISMAR-95 Department of Biochemistry University of Sydney Sydney NSW 2006 Australia Tel: +61-2-351-4120 Fax: +61-2-351-4726 E-mail: ismar95@biochem.su.oz.au ********************************** -- _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ _/ _/ _/ 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 _/ _/ _/ _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ _/ _/ _/ How can it be that mathematics, a product of human thought _/ _/ independent of experience, is so admirably adapted to the _/ _/ objects of reality? "-Albert Einstein" _/ _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ From owner-structural-nmr@net.bio.net Wed Mar 22 22:00:00 1995 Path: biosci!IRIS.BC.NTU.EDU.TW!chuang From: chuang@IRIS.BC.NTU.EDU.TW Newsgroups: bionet.structural-nmr Subject: correlation time estimation Date: 22 Mar 1995 22:13:34 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 22 Sender: daemon@net.bio.net Distribution: world Message-ID: <9503232215.AA08244@iris.bc.ntu.edu.tw> NNTP-Posting-Host: net.bio.net Dear netters: When doing NOE simulation from structure, it is needed to give the correlation time value. Yah, to my know, it is dependent on the molecular weight, the shape (structure) of the molecule. How to roughtly estimate the correlation time when doing this kind of calculation ??? Any suggestion will be great appreciated. Any suggestion can mail to me directly. Thanks. ccchuang ============================================================ Chyh-Chong Chuang Institude of Biological Chemistry, Academia Sinica,Taipei, Taiwan ------------------------------------------------------------ P.O. BOX 23-106, Phone: (02) 362-0261 ext 2021 Taipei, Taiwan, Fax: (02) 363-5038 R.O.C. E-Mail: chuang@bc.ntu.edu.tw ============================================================ From owner-structural-nmr@net.bio.net Fri Mar 24 22:00:00 1995 Newsgroups: bionet.structural-nmr Path: biosci!bcm!cs.utexas.edu!news.sprintlink.net!pipex!warwick!bsmail!zeus!bijt From: bijt@zeus.bris.ac.uk (J. Takei) Subject: seeking nmr graduate assistantship Message-ID: Sender: usenet@info.bris.ac.uk (Usenet news owner) Nntp-Posting-Host: zeus.bris.ac.uk Organization: University of Bristol, England X-Newsreader: TIN [version 1.2 PL2] Date: Sat, 25 Mar 1995 12:14:47 GMT Lines: 32 Dear NMR-netters, I'm currently a Ph.D. student at the University of Bristol, working on membrane peptide NMR. Unfortunately I have been unable to find funding for the next session (1995/96) and so I'm looking for a job as an NMR graduate assistant. If anybody, anywhere who are interested in having a person like me, I would be more than glad to hear from you. Skills: Conventional and modern technique for multi dimentional high resolution NMR (JEOL alpha-500) Reconstitution of peptides into artificial phospholipid vesicles H/D exchange analysis by NMR CD spectroscopy Raman spectroscopy Purification of peptide on HPLC NMR data analysis with Felix 2.30 (Biosym) Structure determination with X-Plor (A. Brunger) Familiare with UNIX, VMS, MS-DOS, Windows, Macintosh Good communication skills Yours sincerely, Jiro Takei Department of Biochemistry University of Bristol BS8 1TD, UK *44-117-928-9000 ext 4971 *44-117-928-8274 (fax) j.takei@bris.ac.uk From owner-structural-nmr@net.bio.net Sat Mar 25 22:00:00 1995 Path: biosci!internet!biosci!not-for-mail From: biohelp (BIOSCI Administrator) Newsgroups: bionet.structural-nmr Subject: UNSUBSCRIBING, BIOSCI ARCHIVES, ADDRESS DATABASE & BIOSCI FAQ Date: 26 Mar 1995 02:00:15 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 338 Sender: daemon@net.bio.net Distribution: world Message-ID: <199503261000.CAA01377@net.bio.net> NNTP-Posting-Host: net.bio.net Four important items follow: How to cancel e-mail subscriptions to BIOSCI newsgroups, BIOSCI archive searching, the BIOSCI FAQ, and the BIOSCI User Address Directory form. If you have not yet listed yourself in our BIOSCI user directory, please take a few minutes to complete and return the form below. If your personal information has changed since you listed yourself, please send us a complete new updated form. We can not make manual revisions to existing entries. Sincerely, Dave Kristofferson BIOSCI/bionet Manager biosci-help@net.bio.net **** How to cancel a BIOSCI e-mail subscription **** If you want to cancel your e-mail subscription to this group, PLEASE DO NOT POST YOUR UNSUBSCRIBE REQUEST TO THE NEWSGROUP ADDRESS (NOR REPLY TO A MESSAGE POSTED TO THE NEWSGROUP)!!! This would send your request to all of the readers of the newsgroup, but it might still not be seen by the BIOSCI staff - thus you would annoy many people and possibly not accomplish your goal anyway. 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WAIS software can also be used to search the archives as described in the BIOSCI FAQ (see below). Finally, the BIOSCI archive files are accessible by anonymous FTP to net.bio.net [134.172.2.69] in the directory pub/BIOSCI. **** BIOSCI FREQUENTLY ASKED QUESTIONS (FAQ) SHEET **** New users of BIOSCI/bionet may want to read the "Frequently Asked Questions" or "FAQ" sheet for BIOSCI. The FAQ provides details on how to participate in these forums and is available for anonymous FTP from net.bio.net [134.172.2.69] in pub/BIOSCI/doc/biosci.FAQ or for retrieval by gopher to net.bio.net, port 70. It may also be requested by sending the command info faq in the body of an e-mail message to the Internet address biosci-server@net.bio.net. Please do not enter the info faq command on the Subject: line of your message since the e-mail server ignores text on the Subject: line. 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For example: comment: ARABIDOPSIS PLANT-BIOLOGY BIONEWS On the comment: lines use these names below ---- NOT the USENET names below MAILING LIST NAME USENET Newsgroup Name ----------------- --------------------- ACEDB-SOFT bionet.software.acedb AGEING bionet.molbio.ageing AGROFORESTRY bionet.agroforestry ARABIDOPSIS bionet.genome.arabidopsis ASCB bionet.prof-society.ascb BIOCAN bionet.prof-society.cfbs BIOFORUM bionet.general BIO-INFORMATION-THEORY bionet.info-theory BIONAUTS bionet.users.addresses BIONEWS bionet.announce BIO-JOURNALS bionet.journals.contents BIO-MATRIX bionet.molbio.bio-matrix BIOPHYSICAL-SOCIETY bionet.prof-society.biophysics BIOPHYSICS bionet.biophysics BIO-SOFTWARE bionet.software BIOTHERMOKINETICS bionet.metabolic-reg BIO-WWW bionet.software.www CARDIOVASCULAR-RESEARCH bionet.biology.cardiovascular CELEGANS bionet.celegans CELL-BIOLOGY bionet.cellbiol CHLAMYDOMONAS bionet.chlamydomonas CHROMOSOMES bionet.genome.chromosomes COMPUTATIONAL-BIOLOGY bionet.biology.computational CSM bionet.prof-society.csm CYTONET bionet.cellbiol.cytonet DROSOPHILA bionet.drosophila EMBL-DATABANK bionet.molbio.embldatabank EMF-BIO bionet.emf-bio EMPLOYMENT bionet.jobs EMPLOYMENT-WANTED bionet.jobs.wanted FASEB bionet.prof-society.faseb GDB bionet.molbio.gdb GENBANK-BB bionet.molbio.genbank GENETIC-LINKAGE bionet.molbio.gene-linkage GRASSES-SCIENCE bionet.biology.grasses HIV-MOLECULAR-BIOLOGY bionet.molbio.hiv HUMAN-GENOME-PROGRAM bionet.molbio.genome-program IMMUNOLOGY bionet.immunology INFO-GCG bionet.software.gcg JOURNAL-NOTES bionet.journals.note METHODS-AND-REAGENTS bionet.molbio.methds-reagnts MICROBIOLOGY bionet.microbiology MOLECULAR-EVOLUTION bionet.molbio.evolution MOLECULAR-MODELLING bionet.molec-model MOLLUSC-MOLECULAR-NEWS bionet.molbio.molluscs MYCOLOGY bionet.mycology NEUROSCIENCE bionet.neuroscience N2-FIXATION bionet.biology.n2-fixation PARASITOLOGY bionet.parasitology PHOTOSYNTHESIS bionet.photosynthesis PLANT-BIOLOGY bionet.plants POPULATION-BIOLOGY bionet.population-bio PROTEIN-ANALYSIS bionet.molbio.proteins PROTEIN-CRYSTALLOGRAPHY bionet.xtallography PROTISTA bionet.protista RAPD bionet.molbio.rapd SCIENCE-RESOURCES bionet.sci-resources STADEN bionet.software.staden STRUCTURAL-NMR bionet.structural-nmr TROPICAL-BIOLOGY bionet.biology.tropical URODELES bionet.organisms.urodeles VIROLOGY bionet.virology WOMEN-IN-BIOLOGY bionet.women-in-bio YEAST bionet.molbio.yeast ZBRAFISH bionet.organisms.zebrafish Listing newsgroups on the comment: line is optional, of course. Thanks again for your cooperation! --------------- please cut here and return portion below --------------- New information or Update to old record (enter N or U): date (DD-MM-YY): first name: middle initial: family name: job title: e-mail address: e-mail network: phone number: FAX number: institution: address1: address2: address3: city: state/province: country: postal code: research interest: research interest: comment: comment: comment: comment: comment: From owner-structural-nmr@net.bio.net Sun Mar 26 23:00:00 1995 Newsgroups: bionet.structural-nmr Path: biosci!bcm!cs.utexas.edu!howland.reston.ans.net!EU.net!uknet!comlab.ox.ac.uk!nmra.ocms!phan From: phan@bioch.ox.ac.uk (Isabelle Phan) Subject: DIANA Message-ID: <1995Mar27.180345.19273@inca.comlab.ox.ac.uk> Organization: Oxford University Date: Mon, 27 Mar 95 18:03:44 BST Lines: 21 Dear All, I am calculating protein structures using P. Guentert's program DIANA114, and have problems specifying start- and end-residues in the sequence file. I noticed there is a STARTGRP and TAILRES entry in the residue library, but I have not figured out how to specify them in my sequence file. (Needless to say the manual that came with the program disappeared some years ago from our lab...!). Many thanks for your help Isabelle -- ---------------------------------------------------------- Isabelle Phan Dept. of Biochemistry South Parks Road phan@bioch.ox.ac.uk OXFORD OX1 3QU, U.K. (01865) 275 773 ---------------------------------------------------------- From owner-structural-nmr@net.bio.net Thu Mar 30 23:00:00 1995 Newsgroups: bionet.structural-nmr Path: biosci!rutgers!uwm.edu!cs.utexas.edu!howland.reston.ans.net!pipex!oleane!jussieu.fr!univ-lyon1.fr!swidir.switch.ch!scsing.switch.ch!rzusuntk.unizh.ch!cweber From: cweber@oci.unizh.ch (Christoph Weber) Subject: Re: DIANA Message-ID: <1995Mar31.111256.19216@rzu-news.unizh.ch> Sender: newsadm@rzu-news.unizh.ch (CNEWS ADMINISTRATION) Organization: University of Zurich, Switzerland X-Newsreader: TIN [version 1.2 PL2] References: <1995Mar27.180345.19273@inca.comlab.ox.ac.uk> Date: Fri, 31 Mar 1995 11:12:56 GMT Lines: 21 Isabelle Phan (phan@bioch.ox.ac.uk) wrote: : Dear All, : I am calculating protein structures using P. Guentert's program DIANA114, and : have problems specifying start- and end-residues in the sequence file. I noticed : there is a STARTGRP and TAILRES entry in the residue library, but I have not : figured out how to specify them in my sequence file. (Needless to say the manual : that came with the program disappeared some years ago from our lab...!). Chances are that Peter himself is reading this as well, but you should probably try to contact him (guentert@mol.biol.ethz.ch). You may want to upgrade to the latest DIANA release, anyway, and get a manual along with it. I usually run calculations without START and TAILGRP, since typically they are ill defined by NMR data and therefore not 'interesting'. Hope this helps, Christoph -- Christoph Weber email: cweber@oci.unizh.ch OCI Uni Zurich phone: +41 1 257 4925 Winterthurerstr. 190 FAX: +41 1 361 9895 CH-8057 Zurich, Switzerland