From owner-structural-nmr@net.bio.net Mon Sep 02 23:00:00 1996 Path: biosci!agate!spool.mu.edu!newspump.sol.net!www.nntp.primenet.com!nntp.primenet.com!howland.erols.net!cam-news-hub1.bbnplanet.com!das-news2.harvard.edu!oitnews.harvard.edu!news From: Matthias Nolte Newsgroups: bionet.molbio.proteins,bionet.xtallography,bionet.neuroscience,sci.med.immunology,bionet.structural-nmr Subject: Re: Pro-dicon protein concentrator Date: Tue, 03 Sep 1996 16:48:04 -0400 Organization: Harvard University Lines: 8 Message-ID: <322C9984.41C6@hubeta.harvard.edu> References: <3226F9A6.794B@pharm.med.yale.edu> NNTP-Posting-Host: bill.harvard.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0b6Gold (X11; I; OSF1 V3.2 alpha) Xref: biosci bionet.molbio.proteins:8648 bionet.xtallography:2845 bionet.neuroscience:15564 sci.med.immunology:7343 bionet.structural-nmr:1478 Dear Elias, the Pro-dicon is (now) marketed by Spectrum and is called Micro-ProDiCon. I have the Dialysis/Ultracentrifugation Catalog here, which shows a nice variety of models of this superb concentrator. Spectrum can be reached @ 1-800 634-3300 Matthias From owner-structural-nmr@net.bio.net Tue Sep 03 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: jody McGill Newsgroups: bionet.structural-nmr Subject: Principles of Protein Structure Using the Internet (fwd) Date: 4 Sep 1996 15:18:33 +0100 Lines: 24 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <50k33p$lek@mserv1.dl.ac.uk> X-Sender: jody@iona.cryst.bbk.ac.uk Original-To: To:To:@mail.cryst.bbk.ac.uk, 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, ;;@mail.cryst.bbk.ac.uk, ;;@mail.cryst.bbk.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 Wed Sep 04 23:00:00 1996 Path: biosci!biosci!not-for-mail From: Iosif Vaisman Newsgroups: bionet.general,bionet.biophysics,bionet.molbio.proteins,bionet.molec-model,bionet.molbio.methds-reagnts,bionet.software,bionet.structural-nmr,bionet.xtallography,bionet.cellbiol,bionet.jobs,bionet.software.gcg,bionet.molbio.bio-matrix Subject: Computational Molecular Biology Workshop, October 15-19, 1996 Date: 5 Sep 1996 15:03:54 -0700 Organization: The University of North Carolina at Chapel Hill Lines: 47 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net Xref: biosci bionet.general:23165 bionet.biophysics:2276 bionet.molbio.proteins:8677 bionet.molec-model:1132 bionet.molbio.methds-reagnts:48854 bionet.software:16470 bionet.structural-nmr:1480 bionet.xtallography:2850 bionet.cellbiol:5405 bionet.software.gcg:1978 bionet.molbio.bio-matrix:755 CAROLINA WORKSHOPS University of North Carolina at Chapel Hill Computational Molecular Biology October 15 - 19, 1996 This course is designed for scientists with limited prior experience in computational molecular biology. The topics to be covered include: biomolecular informatics and databases, protein and nucleic acid sequence analysis and alignment, 3D protein structure analysis and prediction, molecular modeling and dynamic simulations of proteins and nucleic acids, and structure-based drug design. The workshop will consist of the in-depth theoretical lectures and intensive hands-on laboratory sessions. CAROLINA WORKSHOPS are intensive hands-on courses designed to teach cutting edge methods in molecular biology and biotechnology. Four or five courses on different topics in molecular biology and/or biotechnology are offered each year. The courses are designed for novice students as well as for individuals with prior experience. All students benefit from in-depth interaction with instructors. To apply, send a curriculum vitae and a brief letter describing your research interests and their relevance to the Workshop. Applicants should contact the program office as soon as possible. Please indicate your complete mailing address and telephone/fax number. Application Deadline-September 7, 1996. Tuition - $ 1,200.00. Participation is limited to 15 people. COURSE DIRECTOR: Alexander Tropsha, Ph.D., University of North Carolina at Chapel Hill INSTRUCTORS: Frank K. Brown (Oxford Molecular) David C. Richardson (Duke University) Wayne Litaker (UNC-Chapel Hill) Alexander Tropsha (UNC-Chapel Hill) Michael Mitchell (UNC-Chapel Hill) Iosif I. Vaisman (UNC-Chapel Hill) For further information or to apply, contact: Dr. Wayne Litaker, Facility Director University of North Carolina at Chapel Hill Program in Molecular Biology & Biotechnology 442 Taylor Hall CB 7100 Chapel Hill, North Carolina 27599-7100 TELEPHONE (919) 966-1730, FAX (919) 966-6821 E-MAIL litaker@med.unc.edu From owner-structural-nmr@net.bio.net Thu Sep 05 23:00:00 1996 Path: biosci!BIOC01.UTHSCSA.EDU!raman From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN) Newsgroups: bionet.structural-nmr Subject: BioMagResBank (BMRB) has been funded...! Date: 6 Sep 1996 14:25:23 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 42 Sender: daemon@net.bio.net Distribution: world Message-ID: <9609062123.AA09463@bioc01.uthscsa.edu> NNTP-Posting-Host: net.bio.net Dear Str-NMR readers: On behalf of John Markley and Eldon Ulrich, I am pleased to post the following. Additional information on BMRB can be found at: BioMagResBank (BMRB) WWW URL: http://www.bmrb.wisc.edu ********************************************************************** We are pleased to announce that funding for BioMagResBank has been obtained through a three year grant from the National Library of Medicine. We want to thank the NMR community, Joel Sussman, and the PDB staff for their strong support of BMRB. With sustained funding, we look forward to continuing and strengthening the collaboration between BMRB and PDB. Through this collaboration, our goals are to develop standard formats for archiving and exchanging NMR spectroscopic data on proteins, peptides, and nucleic acids and to provide the scientific community with flexible and powerful tools for mining the archived NMR data. John L. Markley and Eldon L. Ulrich -- _/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/ _/ _/ _/ C.S.RAMAN _/ _/ Department of Biochemistry _/ _/ University of Texas Health Science Center _/ _/ 7703 Floyd Curl Drive _/ _/ San Antonio, TX 78284-7760 _/ _/ USA _/ _/ _/ _/ Tel: (210) 614-0839 _/ _/ Fax: (210) 567-2490 _/ _/ 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 Thu Sep 05 23:00:00 1996 Path: biosci!faseb.org!cpk-news-feed1.bbnplanet.com!cpk-news-feed2.bbnplanet.com!cam-news-hub1.bbnplanet.com!www.nntp.primenet.com!nntp.primenet.com!hunter.premier.net!uunet!in3.uu.net!mcsun!EU.net!chsun!news.eunet.ch!usenet From: Reto Koradi Newsgroups: bionet.structural-nmr Subject: data format of NMRPipe? Date: Fri, 06 Sep 1996 13:32:37 +0200 Organization: Spectrospin AG Lines: 4 Message-ID: <32300BD5.15FB@spectrospin.ch> NNTP-Posting-Host: birchwil.spectrospin.ch Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0b8Gold (X11; I; IRIX 5.3 IP12) Does anybody have a specification of the format that NMRPipe uses for processed data? -- Reto Koradi (kor@mol.biol.ethz.ch, http://www.mol.biol.ethz.ch/~kor) From owner-structural-nmr@net.bio.net Sun Sep 08 23:00:00 1996 Path: biosci!MRR.COM!lawrence From: lawrence@MRR.COM (Lawrence Bennett) Newsgroups: bionet.structural-nmr Subject: subscribe Date: 9 Sep 1996 06:54:34 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 9 Sender: daemon@net.bio.net Distribution: world Message-ID: <2.2.32.19960909134348.0068c8b0@mrr.com> NNTP-Posting-Host: net.bio.net subscribe bennetlk@concentric.net Best Regards, Lawrence K. Bennett, M.S. MR Resources, Inc. Account Manager; POB 880, Gardner, MA 01440 NMR Service, Parts and Accessories 508-632-7000, Fax 508-630-2509 http://www.mrr.com From owner-structural-nmr@net.bio.net Sun Sep 08 23:00:00 1996 Path: biosci!PHOENIX.PRINCETON.EDU!ipelczer From: ipelczer@PHOENIX.PRINCETON.EDU (Istvan Pelczer) Newsgroups: bionet.structural-nmr Subject: Re: data format of NMRPipe? Date: 9 Sep 1996 05:31:07 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 28 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <32300BD5.15FB@spectrospin.ch> NNTP-Posting-Host: net.bio.net Why not you ask Frank Delaglio himself who wrote most of this software? His address is: Frank Delaglio Good luck, Istvan wwww,wwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwww Istvan Pelczer, Ph.D. Email: ipelczer@princeton.edu Senior NMR Spectroscopist Princeton University Department of Chemistry, Frick Lab., ph# (609) 258 2342 Washington Road fax# (609) 258 6746 Princeton, NJ 08544, USA On Fri, 6 Sep 1996, Reto Koradi wrote: > Does anybody have a specification of the format that NMRPipe uses > for processed data? > -- > Reto Koradi (kor@mol.biol.ethz.ch, http://www.mol.biol.ethz.ch/~kor) > > From owner-structural-nmr@net.bio.net Sun Sep 08 23:00:00 1996 Path: biosci!CCR.DSI.UANL.MX!pearl From: pearl@CCR.DSI.UANL.MX ("Dr. Paul R.Earl") Newsgroups: bionet.structural-nmr Subject: Biomx, electronic journal----Call for papers Date: 9 Sep 1996 09:40:53 -0700 Organization: UANL Lines: 7 Sender: daemon@net.bio.net Distribution: world Message-ID: <32346567.6C18@ccr.dsi.uanl.mx> NNTP-Posting-Host: net.bio.net Please enter Biomx under Yahoo search to see the home page. It is HTTP://WWW.UANL.MX/BIOMX Thank you for your kind attention. Best Wishes, Dr Paul R Earl From owner-structural-nmr@net.bio.net Sun Sep 08 23:00:00 1996 Path: biosci!AFMB85.CNRS-MRS.FR!herve From: herve@AFMB85.CNRS-MRS.FR (Herve DARBON) Newsgroups: bionet.structural-nmr Subject: permanent position in structural NMR Date: 9 Sep 1996 09:11:34 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 98 Sender: daemon@net.bio.net Distribution: world Message-ID: <199609091824.UAA11612@afmb85.cnrs-mrs.fr> NNTP-Posting-Host: net.bio.net Un poste d'Ingenieur de Recherche (IR2) en RMN est a pourvoir au sein de l'Institut de Microbiologie et de Biologie Structurale a Marseille. La date limite de depot des candidatures est fixee au 30 septembre 1996 pour un recrutement au 1er decembre 1996. Les candidats doivent etre ressortissants d'un pays de la Communaute Europeenne. Pour tous renseignements administratifs, contacter: CNRS, Delegation Provence Bureau des Concours 31 chemin Joseph-Aiguier 13402 Marseille cedex 20 tel: 91-16-42-18 91-16-42-67 fax: 91-22-71-52 Pour tous renseignements sur le profil du poste, contacter: Herve Darbon tel: 91-16-45-35 fax: 91-16-45-36 E-mail: herve@afmb.cnrs-mrs.fr Francoise Guerlesquin tel: 91-16-43-79 fax: 91-77-95-17 E-mail: guerlesq@ibsm.cnrs-mrs.fr Herve Darbon ------------------------------------------------------------------- Have a look to my home page http://afmb.cnrs-mrs.fr/nmr ------------------------------------------------------------------- INGENIEUR DE RECHERCHE/BAP VII/MARSEILLE CONCOURS N 031 Administration organisatrice : MARSEILLE Metier : Ingenieur de recherche de 2eme classe sur grands instruments 1 poste Affectation : Biologie Structurale et Microbiologie Adresse : CNRS 31, chemin Joseph Aiguier 13402 MARSEILLE CEDEX 9 Directeur : Monsieur HASER DS : SDV PROFIL : L'ingenieur assurera : * Le developpement methodologique en spectroscopie de resonance magnetique nucleaire dediee a la structure des macromolecules biologiques. * La mise au point de nouvelles sequences impulsionnelles. * Le suivi et le developpement des logiciels dedies. * La maintenance d'un spectrometre 500 MHz et la gestion informatique du parc de stations graphiques. * Les acquisitions spectrales de routine. * La formation des nouveaux utilisateurs. Il sera associe aux projets de recherche existants dans les laboratoires. Les demandes de dossiers sont a effectuer aupres de : Telephone : 91-16-42-18 CNRS Telephone : 91-16-42-67 BUREAU DES CONCOURS Telecopie : 91-22-71-52 Delegation Provence 31, Chemin Joseph Aiguier 13402 Marseille CEDEX 20 ############################################################################## ### Pour retrouver cette annonce: ### ### ---------------------------- ### ### ### ### http://afmb.cnrs-mrs.fr/nmr/concours.html ### ### ### ############################################################################## Herve Darbon ------------------------------------------------------------------- Have a look to my home page http://afmb.cnrs-mrs.fr/nmr/ ------------------------------------------------------------------- From owner-structural-nmr@net.bio.net Sun Sep 08 23:00:00 1996 Path: biosci!AFMB85.CNRS-MRS.FR!herve From: herve@AFMB85.CNRS-MRS.FR (Herve DARBON) Newsgroups: bionet.structural-nmr Subject: pernament position available in structural nmr Date: 9 Sep 1996 09:11:22 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 106 Sender: daemon@net.bio.net Distribution: world Message-ID: <199609091903.VAA11708@afmb85.cnrs-mrs.fr> NNTP-Posting-Host: net.bio.net Un poste d'Ingenieur de Recherche (IR2) en RMN est a pourvoir au sein de l'Institut de Microbiologie et de Biologie Structurale a Marseille. La date limite de depot des candidatures est fixee au 30 septembre 1996 pour un recrutement au 1er decembre 1996. Les candidats doivent etre ressortissants d'un pays de la Communaute Europeenne. Pour tous renseignements administratifs, contacter: CNRS, Delegation Provence Bureau des Concours 31 chemin Joseph-Aiguier 13402 Marseille cedex 20 tel: 91-16-42-18 91-16-42-67 fax: 91-22-71-52 Pour tous renseignements sur le profil du poste, contacter: Herve Darbon tel: 91-16-45-35 fax: 91-16-45-36 E-mail: herve@afmb.cnrs-mrs.fr Francoise Guerlesquin tel: 91-16-43-79 fax: 91-77-95-17 E-mail: guerlesq@ibsm.cnrs-mrs.fr Herve Darbon ------------------------------------------------------------------- Have a look to my home page http://afmb.cnrs-mrs.fr/nmr ------------------------------------------------------------------- INGENIEUR DE RECHERCHE/BAP VII/MARSEILLE CONCOURS N 031 Administration organisatrice : MARSEILLE Metier : Ingenieur de recherche de 2eme classe sur grands instruments 1 poste Affectation : Biologie Structurale et Microbiologie Adresse : CNRS 31, chemin Joseph Aiguier 13402 MARSEILLE CEDEX 9 Directeur : Monsieur HASER DS : SDV PROFIL : L'ingenieur assurera : * Le developpement methodologique en spectroscopie de resonance magnetique nucleaire dediee a la structure des macromolecules biologiques. * La mise au point de nouvelles sequences impulsionnelles. * Le suivi et le developpement des logiciels dedies. * La maintenance d'un spectrometre 500 MHz et la gestion informatique du parc de stations graphiques. * Les acquisitions spectrales de routine. * La formation des nouveaux utilisateurs. Il sera associe aux projets de recherche existants dans les laboratoires. Les demandes de dossiers sont a effectuer aupres de : Telephone : 91-16-42-18 CNRS Telephone : 91-16-42-67 BUREAU DES CONCOURS Telecopie : 91-22-71-52 Delegation Provence 31, Chemin Joseph Aiguier 13402 Marseille CEDEX 20 ############################################################################## ### Pour retrouver cette annonce: ### ### ---------------------------- ### ### ### ### http://afmb.cnrs-mrs.fr/nmr/concours.html ### ### ### ############################################################################## Herve Darbon ------------------------------------------------------------------- Have a look to my home page http://afmb.cnrs-mrs.fr/nmr/ ------------------------------------------------------------------- Herve Darbon ------------------------------------------------------------------- Have a look to my home page http://afmb.cnrs-mrs.fr/nmr/ ------------------------------------------------------------------- From owner-structural-nmr@net.bio.net Sun Sep 08 23:00:00 1996 Path: biosci!agate!howland.erols.net!www.nntp.primenet.com!nntp.primenet.com!news-peer.gsl.net!news.gsl.net!news.sgi.com!timbuk.cray.com!news4.mr.net!mr.net!uunet!in2.uu.net!EU.net!Norway.EU.net!nntp.uio.no!nntp-oslo.UNINETT.no!nntp-trd.UNINETT.no!daresbury!not-for-mail From: herve@afmb85.cnrs-mrs.fr (Herve DARBON) Newsgroups: bionet.structural-nmr Subject: nmr permanent position available Date: 9 Sep 1996 15:36:11 +0100 Lines: 97 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <511a0r$4rc@mserv1.dl.ac.uk> Original-To: str-nmr@dl.ac.uk Un poste d'Ingenieur de Recherche (IR2) en RMN est a pourvoir au sein de l'Institut de Microbiologie et de Biologie Structurale a Marseille. La date limite de depot des candidatures est fixee au 30 septembre 1996 pour un recrutement au 1er decembre 1996. Pour tous renseignements administratifs, contacter: CNRS, Delegation Provence Bureau des Concours 31 chemin Joseph-Aiguier 13402 Marseille cedex 20 tel: 91-16-42-18 91-16-42-67 fax: 91-22-71-52 Pour tous renseignements sur le profil du poste, contacter: Herve Darbon tel: 91-16-45-35 fax: 91-16-45-36 E-mail: herve@afmb.cnrs-mrs.fr Francoise Guerlesquin tel: 91-16-43-79 fax: 91-77-95-17 E-mail: guerlesq@ibsm.cnrs-mrs.fr Herve Darbon ------------------------------------------------------------------- Have a look to my home page http://afmb.cnrs-mrs.fr/nmr ------------------------------------------------------------------- INGENIEUR DE RECHERCHE/BAP VII/MARSEILLE CONCOURS N 031 Administration organisatrice : MARSEILLE Metier : Ingenieur de recherche de 2eme classe sur grands instruments 1 poste Affectation : Biologie Structurale et Microbiologie Adresse : CNRS 31, chemin Joseph Aiguier 13402 MARSEILLE CEDEX 9 Directeur : Monsieur HASER DS : SDV PROFIL : L'ingenieur assurera : * Le developpement methodologique en spectroscopie de resonance magnetique nucleaire dediee a la structure des macromolecules biologiques. * La mise au point de nouvelles sequences impulsionnelles. * Le suivi et le developpement des logiciels dedies. * La maintenance d'un spectrometre 500 MHz et la gestion informatique du parc de stations graphiques. * Les acquisitions spectrales de routine. * La formation des nouveaux utilisateurs. Il sera associe aux projets de recherche existants dans les laboratoires. Les demandes de dossiers sont a effectuer aupres de : Telephone : 91-16-42-18 CNRS Telephone : 91-16-42-67 BUREAU DES CONCOURS Telecopie : 91-22-71-52 Delegation Provence 31, Chemin Joseph Aiguier 13402 Marseille CEDEX 20 ############################################################################## ### Pour retrouver cette annonce: ### ### ---------------------------- ### ### ### ### http://afmb.cnrs-mrs.fr/nmr/concours.html ### ### ### ############################################################################## Herve Darbon ------------------------------------------------------------------- Have a look to my home page http://afmb.cnrs-mrs.fr/nmr/ ------------------------------------------------------------------- From owner-structural-nmr@net.bio.net Mon Sep 09 23:00:00 1996 Path: biosci!AFMB85.CNRS-MRS.FR!herve From: herve@AFMB85.CNRS-MRS.FR (Herve DARBON) Newsgroups: bionet.structural-nmr Subject: Errata poste CNRS RMN structurale/Permanent NMR position available Date: 10 Sep 1996 02:49:30 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 12 Sender: daemon@net.bio.net Distribution: world Message-ID: <199609101326.PAA12372@afmb85.cnrs-mrs.fr> NNTP-Posting-Host: net.bio.net Un poste d'Ingenieur de Recherche (IR2) en RMN est a pourvoir au sein de l'Institut de Microbiologie et de Biologie Structurale a Marseille... Il n'y a pas de condition de nationalite pour concourir sur le poste Herve Darbon ------------------------------------------------------------------- Have a look to my home page http://afmb.cnrs-mrs.fr/nmr/ ------------------------------------------------------------------- From owner-structural-nmr@net.bio.net Mon Sep 09 23:00:00 1996 Newsgroups: bionet.structural-nmr Path: biosci!agate!howland.erols.net!newsfeed.internetmci.com!in3.uu.net!EU.net!usenet2.news.uk.psi.net!uknet!usenet1.news.uk.psi.net!uknet!uknet!strath-cs!dcl-cs!bath.ac.uk!prsast From: Andy Thompson Subject: Studentship 10/96 available Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Sender: prsast@bath.ac.uk (Verified by Kerberos) Organization: School of Pharmacy, University of Bath, UK Message-ID: <3052C0B1.1E82@bath.ac.uk> X-Mailer: Mozilla 3.0b6Gold (Win95; I) Mime-Version: 1.0 X-Nntp-Posting-Host: prpc-ast.bath.ac.uk Date: Tue, 10 Sep 1996 10:43:14 GMT Lines: 14 We have a AICR (Association for International Cancer Research) studentship available to start 10/96 investigating a series of cross-linked DNA duplex adducts by high-field NMR. If interested please contact: *********************************************************************** Dr Andrew S. Thompson e-mail a.s.thompson@bath.ac.uk School of Pharmacy and Pharmacology or prsast@bath.ac.uk University of Bath Claverton Down Voice: 01225 826765 Bath FAX: 01225 826114 BA2 7AY Mobile: 0589 637590 ************************************************************************ From owner-structural-nmr@net.bio.net Mon Sep 09 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: jody McGill Newsgroups: bionet.structural-nmr Subject: Internet Resources/Protein Structure Course using the Internet Date: 10 Sep 1996 10:40:39 +0100 Lines: 32 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <513d2n$iud@mserv1.dl.ac.uk> 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 Registrations are now being accepted for The Crystallography Department of Birkbeck College's Advanced Certificate course on: THE PRINCIPLES OF PROTEIN STRUCTURE using the Internet. This course is of nine months duration using Internet resources such as the BioMoo and the e.mail. The cost for students within the EU is 250 pounds sterling, for overseas students the cost is 550 pounds sterling. The course is divided into three sections: 1. Introduction to Internet Resources 2. Protein Structure 3. Dissertation: structure, function and dynamics For details of course contents, administration and registration URL http://www.cryst.bbk.ac.uk/PPS2/index.html REGISTRATION CLOSES SOMETIME AT THE END OF SEPTEMBER, IF YOU ARE INTERESTED IN APPLYING APPLY NOW!! 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 Sep 10 23:00:00 1996 Path: biosci!agate!newsgate.duke.edu!solaris.cc.vt.edu!homer.alpha.net!uwm.edu!lll-winken.llnl.gov!sol.ctr.columbia.edu!spool.mu.edu!newspump.sol.net!www.nntp.primenet.com!nntp.primenet.com!news.sgi.com!news.cs.indiana.edu!purdue!news.bu.edu!usenet From: Shuwei Li Newsgroups: bionet.structural-nmr Subject: data convertor Date: Tue, 10 Sep 1996 20:40:27 -0400 Organization: Boston University Lines: 3 Message-ID: <32360A7B.8FD@chem.bu.edu> NNTP-Posting-Host: chem.bu.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0b8Gold (X11; I; SunOS 5.5 sun4u) Hi,Does anyone have the program for converting varian processed data to felix or xwin-nmr format(Bruker)? Thanks in advance. From owner-structural-nmr@net.bio.net Tue Sep 10 23:00:00 1996 Path: biosci!agate!news.Stanford.EDU!not-for-mail From: koehler@chem.Stanford.EDU (Michael Frederick Koehler) Newsgroups: bionet.structural-nmr Subject: Re: data convertor Date: 11 Sep 1996 11:24:03 -0700 Organization: Stanford University, CA 94305, USA Lines: 13 Message-ID: <517043$1lgu@chem.Stanford.EDU> References: <32360A7B.8FD@chem.bu.edu> NNTP-Posting-Host: chem.stanford.edu In article <32360A7B.8FD@chem.bu.edu>, Shuwei Li wrote: >Hi,Does anyone have the program for converting varian processed data >to felix or xwin-nmr format(Bruker)? I'm not sure what you mean by "varian processed data". If you mean that you've taken your spectra on a Varian instrument, then yes, there is a program called vnmr2felix which will convert Varian data to the Felix format. I believe you can find it somewhere in Varian's web site. Alternatively, I could email you a copy. It's quite simple. Mike From owner-structural-nmr@net.bio.net Tue Sep 10 23:00:00 1996 Path: biosci!servaly.hobby.nl!wybo From: wybo@servaly.hobby.nl (Wybo Dekker) Newsgroups: bionet.structural-nmr Subject: looking for C-routine for FFT of Bruker FIDs Date: 11 Sep 1996 05:01:36 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 11 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net Hi All, Could anybody help me with a good C-routine for the Fourier transformation of Bruker 1D-fids? In return, I can offer a nice interactive 1D NMR plotpackage running under Linux/X-windows. (Which can now only work with already transformed data). ===================Servalys Analytical Chemistry Services================= Wybo H. Dekker | Deilsedijk 60 | tel (31)345-652164 wybo@servaly.hobby.nl | 4158 CH Deil, The Netherlands | fax (31)345-652383 From owner-structural-nmr@net.bio.net Wed Sep 11 23:00:00 1996 Path: biosci!SMI.STANFORD.EDU!holbrook From: holbrook@SMI.STANFORD.EDU (Robin Holbrook) Newsgroups: bionet.structural-nmr Subject: Tenure-Track Opening at University of Graz, AUSTRIA Date: 12 Sep 1996 13:23:04 -0700 Organization: SMRL, Stanford University Lines: 13 Sender: daemon@net.bio.net Distribution: world Message-ID: <32380EAC.59FD@camis.stanford.edu> Reply-To: holbrook@SMI.Stanford.EDU NNTP-Posting-Host: net.bio.net Tenure-track Academic Opening at the University of Graz, Austria The Karl-Franzens-Universitat Graz is looking for a scientist to develop a program in Biological NMR at their new NMR Center. Prior experience with protein NMR is a prerequisite. Command of the German language is highly desirable. For further information contact Dr. Ernst Haslinger, Institut fur Pharmazeutische Chemie, Karl-Franzens-Universitat Graz, Universitatsplatz 1, A-8010 Graz, Austria - Tel: +43/316 380 5366, Fax: +43/316 380 9846 or Dr. Oleg Jardetzky (Tel. until September 30: +43/3387-2578, after October 1st in US: 415/723-6253, Fax: 415/723-2253). Deadline for Applications: October 15, 1996 From owner-structural-nmr@net.bio.net Wed Sep 11 23:00:00 1996 Newsgroups: bionet.structural-nmr Path: biosci!bloom-beacon.mit.edu!news-peer.gsl.net!news.gsl.net!www.nntp.primenet.com!nntp.primenet.com!howland.erols.net!Frankfurt.Germany.EU.net!main.Germany.EU.net!fu-berlin.de!zrz.TU-Berlin.DE!news.dfn.de!news.ruhr-uni-bochum.de!news.rhrz.uni-bonn.de!RRZ.Uni-Koeln.DE!news.gtn.com!osn.de!noris.net!blackbush.xlink.net!bam!news From: Uwe Seimet Subject: Re: looking for C-routine for FFT of Bruker FIDs Content-Type: text/plain; charset=us-ascii Organization: Bruker Analytik GmbH Date: Thu, 12 Sep 1996 07:24:05 GMT Message-ID: <3237BA95.4189@bruker.de> X-Mailer: Mozilla 3.0b7Gold (X11; I; SunOS 5.5 sun4u) Mime-Version: 1.0 Content-Transfer-Encoding: 7bit References: Sender: news@bam.bruker.de (News) Lines: 19 Wybo Dekker wrote: > Could anybody help me with a good C-routine for the Fourier > transformation of Bruker 1D-fids? I guess you have problems with transforming the FIDs created by _digital_ spectrometers? Did you already try to convert the digital FID into an analog one using the XWinNMR command CONVDTA? Afterwards you can do the FFT with standard FFT routines, e. g. with those taken from the book "Numerical Recipes in C". -- ****************************************************************** Uwe Seimet | I really hate this damned machine, | I wish that they would sell it. Internet: us@bruker.de | It never does that what I mean MausNet: Uwe Seimet @ KA2 | but only what I tell it. WWW: http://acp5.chemie.uni-kl.de/seimet/index.html ****************************************************************** From owner-structural-nmr@net.bio.net Wed Sep 11 23:00:00 1996 Path: biosci!servaly.hobby.nl!wybo From: wybo@servaly.hobby.nl (Wybo Dekker) Newsgroups: bionet.structural-nmr Subject: Re: looking for C-routine for FFT of Bruker FIDs Date: 12 Sep 1996 14:12:24 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 30 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <3237BA95.4189@bruker.de> NNTP-Posting-Host: net.bio.net > Wybo Dekker wrote: > > > Could anybody help me with a good C-routine for the Fourier > > transformation of Bruker 1D-fids? > Uwe Seimet answered: > > I guess you have problems with transforming the FIDs created by > _digital_ spectrometers? Yes, an ARX-400. I never saw an analog machine producing FIDs? > Did you already try to convert the digital FID > into an analog one using the XWinNMR command CONVDTA? I don't understand what you mean with an analog FID existing on a computer, but anyway: do you know where to get the routine or program behind this CONVDTA command? I could perhaps buy this XWinNMR but it probably comes without the sources? And I couldn't afford it anyway... > Afterwards you can > do the FFT with standard FFT routines, e. g. with those taken from the > book "Numerical Recipes in C". Which is exactly what I tried to do, but I got spectra looking like NMR-spectra but with strange relocations of the peaks. ===================Servalys Analytical Chemistry Services================= Wybo H. Dekker | Deilsedijk 60 | tel (31)345-652164 wybo@servaly.hobby.nl | 4158 CH Deil, The Netherlands | fax (31)345-652383 From owner-structural-nmr@net.bio.net Thu Sep 12 23:00:00 1996 Path: biosci!BIOC01.UTHSCSA.EDU!raman From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN) Newsgroups: bionet.structural-nmr Subject: NMR POSITION AVAILABLE IMMEDIATELY Date: 13 Sep 1996 09:42:04 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 29 Sender: daemon@net.bio.net Distribution: world Message-ID: <9609131640.AA14814@bioc01.uthscsa.edu> NNTP-Posting-Host: net.bio.net HIGH RESOLUTION NMR POSITION AVAILABLE IMMEDIATELY SINTEF UNIMED Biotech in Trondheim, Norway, is seeking a high resolution NMR spectroscopist with a few years of post doctoral experience to enter a group, focussed on Protein Engineering and structure - function studies. The protein group is associated with the MR-Center which has a wide range of NMR equipment, ranging from high resolution NMR (600 MHz) to medical MRI with a focus on biomedical and biotechnological research projects and Petrochemical applications. The protein group is involved in EU projects where protein structure - function studies are addressed. The protein group is a local "center of excellence" together with a local microbiology laboratory (UNIGEN). The successful candidate is open minded, capable and interested in team work aimed at providing answers to questions raised in our academic and industrial projects. We expect the candidate to publish his or her results whenever possible and thus maintain a competitive international scientific level. We will provide a stimulating work environment, an attractive salary and one of the most beautiful natural environments in the world. For further information please contact Prof. Steffen B. Petersen SINTEF UNIMED Biotech N-7034 Trondheim, Norway phone: +47 73 590217 fax: +47 73 590220 email: steffen.petersen@unimed.sintef.no www: http://www.mr.sintef.no/~sbp/ From owner-structural-nmr@net.bio.net Thu Sep 12 23:00:00 1996 Path: biosci!bcm.tmc.edu!news.msfc.nasa.gov!newsfeed.internetmci.com!in1.uu.net!wizard.pn.com!mozo.cc.purdue.edu!omni.cc.purdue.edu!jiyan From: jiyan@omni.cc.purdue.edu (Jiyan Chen) Newsgroups: bionet.structural-nmr Subject: NMR Data processing software for PC Windows? Date: 12 Sep 1996 06:00:00 GMT Organization: Purdue University Computing Center Lines: 4 Message-ID: <5188t0$c97@mozo.cc.purdue.edu> NNTP-Posting-Host: omni.cc.purdue.edu Hi, is there any NMR data processing software (freeware or shareware) available for PC Windows? Thanks! From owner-structural-nmr@net.bio.net Thu Sep 12 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: Marco.Tato@eu.pnu.com (Marco Tato) Newsgroups: bionet.structural-nmr Subject: Isotope-Filtered 2D Pulse Squence for Varian spectrometer Date: 13 Sep 1996 17:20:09 +0100 Lines: 43 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <51c1jp$i6t@mserv1.dl.ac.uk> Original-To: str-nmr@dl.ac.uk, varnet@aries.scs.uiuc.edu Hi to the cyber-NMR people, Does anyone have the pulse sequence/s for Isotope-Filtered 2D of a labeled Protein / Peptide complex, to be used on a Varian Unity spectrometer. I want to study(1D and 2D) an unlabeled peptide (or drug) complexed with a labeled protein. Ref.: Ikura and Bax, J.A.C.S. 114, 2433-2440, 1992. 1 Tera-Thanks in advance, Marco Tato' Marco Tato' Pharmacia & Upjohn Structure Based Drug design via Pasteur 10 20014 Nerviano (MI) Italy voice: ++39-2-4838.3147 fax: ++39-2-4838.3100 e-mail: marco.tato@eu.pnu.com Ginsberg's Theorem: 1. You can't win 2. You can't break even 3. You can't even quit the game Freeman's Commentary on Ginsberg's Theorem: Every major philosophy that attempts to make life seem meaningful is based on the negation of one part of Ginsberg's Theorem. To wit: 1. Capitalism is based on the assumption that you can win 2. Socilaism is based on the assumption that you can break even 3. Mysticism is based on the assumption that you can quit the game From owner-structural-nmr@net.bio.net Fri Sep 13 23:00:00 1996 Path: biosci!BIOC01.UTHSCSA.EDU!raman From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN) Newsgroups: bionet.structural-nmr Subject: LAST Appeal for Structure Prediction Targets Date: 14 Sep 1996 12:49:34 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 291 Sender: daemon@net.bio.net Distribution: world Message-ID: <9609141947.AA15577@bioc01.uthscsa.edu> NNTP-Posting-Host: net.bio.net LAST Appeal for Structure Prediction Targets -------------------------------------------- To all Protein NMR Spectroscopists: As you probably 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 used 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. There is also a recent 'Science' 'Research News' (vol 273, 426-428, 26 July, 1996) providing some more background. We hope the second experiment will be as informative as the first. 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 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 78 groups registered as intending to make predictions. 35 teams took part last time, so we are on the way to doubling participation. Indeed, at about the half way point in the prediction season, in excess of 400 predictions have been received, more than triple the number obtained last time. However, we are still short of prediction targets. In order to get statistically meaningful results, it is important that there is a range of targets predicted in each of the four categories (see below), so we would like predictions on a total of around 50 proteins and protein complexes, but so far have only 40. A number of the deadlines for predictions on those have now passed, and so the number available to predictors at this moment is only about 15. (Information about current and expired targets is available on the web sites.) Thus, the purpose of this message is to once more to ask you to help with target provision, if you can. The rules are spelled out on the general target request below. We are VERY MUCH 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. The end of the prediction season has been extended to October 15 to allow a little more time for these new targets. Even if you do not have any targets available yourself, please pass this message on to other experimentalists you think might be interested. If you have any queries about what is involved in submitting a target, please send me a message. We cannot make this experiment work without again the help of the experimental community. John Moult. jmoult@indigo5.carb.nist.gov ---------------------------------------------------------------------------- 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. The more information, the easier it is for a modeler to decide whether to predict your structure. For example, protein supply? interpretable NMR spectra? 9. Do you already have a set of NOE assignments? Yes [ ] No [ ] 10. [ ] Estimated date of obtaining an initial structure. (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 [ ] ------------------------------------------------------------------------- From owner-structural-nmr@net.bio.net Fri Sep 13 23:00:00 1996 Path: biosci!agate!spool.mu.edu!uwm.edu!cs.utexas.edu!howland.erols.net!EU.net!Austria.EU.net!01-newsfeed.univie.ac.at!uw.edu.pl!news.icm.edu.pl!news.nask.pl!news.free.net!newsmaster From: "Valentin P. Ananikov" Newsgroups: bionet.structural-nmr Subject: Re: NMR Data processing software for PC Windows? Date: 14 Sep 1996 10:51:03 GMT Organization: FREEnet Lines: 13 Distribution: world Message-ID: <51e2mn$aam@netserv1.free.net> References: <5188t0$c97@mozo.cc.purdue.edu> NNTP-Posting-Host: nmr2.ioc.ac.ru jiyan@omni.cc.purdue.edu (Jiyan Chen) wrote: > > Hi, is there any NMR data processing software (freeware or shareware) > available for PC Windows? > > Thanks! You can find the list of all available NMR software at: http://www.chem.umu.se/divisions/fk/EduNMRSoft13.html V.P. From owner-structural-nmr@net.bio.net Sat Sep 14 23:00:00 1996 Path: biosci!agate!spool.mu.edu!uwm.edu!cs.utexas.edu!howland.erols.net!EU.net!chsun!news.eunet.ch!usenet From: Reto Koradi Newsgroups: bionet.structural-nmr Subject: Re: looking for C-routine for FFT of Bruker FIDs Date: Sun, 15 Sep 1996 14:55:14 +0200 Organization: Spectrospin AG Lines: 46 Message-ID: <323BFCB2.31DF@spectrospin.ch> References: <3237BA95.4189@bruker.de> NNTP-Posting-Host: birchwil.spectrospin.ch Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0b8Gold (X11; I; IRIX 5.3 IP12) To: Wybo Dekker Wybo Dekker wrote: > > Uwe Seimet answered: > > > > I guess you have problems with transforming the FIDs created by > > _digital_ spectrometers? > > Yes, an ARX-400. I never saw an analog machine producing FIDs? That would be considered an "analog" spectrometer in this context. Of course it also stores data in digital form, but the difference to a spectrometer that would be called "digital" here (like a DRX) is that in the digital spectrometer the data is converted to digital at a very early stage after acquistion, and all further processing within the spectrometer, most notably the filtering, is happening with digital electronics. This digital filtering has implications on the processing. I'm not familiar with the details, but as far as I understood, the first few data points of the FID require special handling. > I could perhaps buy this XWinNMR but it probably comes without > the sources? You bet! > And I couldn't afford it anyway... That depends on your budget. :) > > Afterwards you can do the FFT > > with standard FFT routines, e. g. with those taken from the > > book "Numerical Recipes in C". > > Which is exactly what I tried to do, but I got spectra looking like > NMR-spectra but with strange relocations of the peaks. While you basically just need a standard FFT, there are indeed a few tricky details that you have to consider. The text book FFTs mostly give you zero frequency in the middle of the resulting frequencies, while you normally want it on the right side for NMR. Depending on how the spectrum was recorded (QSEQ, QSIM), you also need some pre-/postprocessing to get it right. I couldn't even help with the details if I wanted to, it's been too long since I did these things. -- Reto Koradi (kor@mol.biol.ethz.ch, http://www.mol.biol.ethz.ch/~kor) From owner-structural-nmr@net.bio.net Sat Sep 14 23:00:00 1996 Newsgroups: bionet.structural-nmr Path: biosci!agate!spool.mu.edu!newspump.sol.net!www.nntp.primenet.com!nntp.primenet.com!cs.utexas.edu!news.sprintlink.net!news-peer.sprintlink.net!uunet!in3.uu.net!news.maz.net!ins.net!blackbush.xlink.net!bam!news From: Uwe Seimet Subject: Re: looking for C-routine for FFT of Bruker FIDs Content-Type: text/plain; charset=us-ascii Organization: Bruker Analytik GmbH Date: Sun, 15 Sep 1996 06:55:51 GMT Message-ID: <323BA877.A7A@bruker.de> X-Mailer: Mozilla 3.0b7Gold (X11; I; SunOS 5.5 sun4u) Mime-Version: 1.0 Content-Transfer-Encoding: 7bit References: <3237BA95.4189@bruker.de> Sender: news@bam.bruker.de (News) Lines: 24 Wybo Dekker wrote: > Yes, an ARX-400. I never saw an analog machine producing FIDs? I was aiming at the Avance Series spectrometers (e. g. DMX with D for Digital) in contrast to an AMX (A for Analog). > computer, but anyway: do you know where to get the routine or program I don't know any sources that are public. > Which is exactly what I tried to do, but I got spectra looking like > NMR-spectra but with strange relocations of the peaks. Even after applying CONVDTA? -- ****************************************************************** Uwe Seimet | I really hate this damned machine, | I wish that they would sell it. Internet: us@bruker.de | It never does that what I mean MausNet: Uwe Seimet @ KA2 | but only what I tell it. WWW: http://acp5.chemie.uni-kl.de/seimet/index.html ****************************************************************** From owner-structural-nmr@net.bio.net Sun Sep 15 23:00:00 1996 Path: biosci!servaly.hobby.nl!wybo From: wybo@servaly.hobby.nl (Wybo Dekker) Newsgroups: bionet.structural-nmr Subject: Re: looking for C-routine for FFT of Bruker FIDs Date: 16 Sep 1996 05:02:33 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 18 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <323BA877.A7A@bruker.de> NNTP-Posting-Host: net.bio.net > > > computer, but anyway: do you know where to get the routine or program > > I don't know any sources that are public. > > > Which is exactly what I tried to do, but I got spectra looking like > > NMR-spectra but with strange relocations of the peaks. > > Even after applying CONVDTA? > No, since I don't have XWinNMR... But the data data I transformed were taken from JCAMP output of the ARX. Shouldn't those already have been converted to a form that is FFT-able with standard FFT routines? ===================Servalys Analytical Chemistry Services================= Wybo H. Dekker | Deilsedijk 60 | tel (31)345-652164 wybo@servaly.hobby.nl | 4158 CH Deil, The Netherlands | fax (31)345-652383 From owner-structural-nmr@net.bio.net Sun Sep 15 23:00:00 1996 Path: biosci!faseb.org!cpk-news-feed1.bbnplanet.com!cpk-news-feed2.bbnplanet.com!cam-news-hub1.bbnplanet.com!www.nntp.primenet.com!nntp.primenet.com!news.sgi.com!news.msfc.nasa.gov!newsfeed.internetmci.com!in1.uu.net!01-newsfeed.univie.ac.at!uw.edu.pl!news.nask.pl!news.free.net!newsmaster From: "Valentin P. Ananikov" Newsgroups: bionet.structural-nmr Subject: Re: looking for C-routine for FFT of Bruker FIDs Date: 16 Sep 1996 07:57:11 GMT Organization: FREEnet Lines: 67 Distribution: world Message-ID: <51j18n$6q0@netserv1.free.net> NNTP-Posting-Host: nmr2.ioc.ac.ru Try this code. I have successfully tested it with Bruker AM300 FID's (DISNMR). regards, Valentin. NMR Center Institute of Organic Chemistry Russian Academy of Sciences. Moscow Russia #define SWAP(a,b) tempr=(a);(a)=(b);(b)=tempr void fft(data, nn, isign) float data[]; int nn, isign; { int n, mmax, m, j, istep, i; double wtemp, wr, wpr, wpi, wi, theta; float tempr, tempi; n = nn << 1; j = 1; for (i = 1; i < n; i += 2) { if (j > i) { SWAP(data[j], data[i]); SWAP(data[j + 1], data[i + 1]); } m = n >> 1; while (m >= 2 && j > m) { j -= m; m >>= 1; } j += m; } mmax = 2; while (n > mmax) { istep = 2 * mmax; theta = 6.28318530717959 / (isign * mmax); wtemp = sin(0.5 * theta); wpr = -2.0 * wtemp * wtemp; wpi = sin(theta); wr = 1.0; wi = 0.0; for (m = 1; m < mmax; m += 2) { for (i = m; i <= n; i += istep) { j = i + mmax; tempr = wr * data[j] - wi * data[j + 1]; tempi = wr * data[j + 1] + wi * data[j]; data[j] = data[i] - tempr; data[j + 1] = data[i + 1] - tempi; data[i] += tempr; data[i + 1] += tempi; } wr = (wtemp = wr) * wpr - wi * wpi + wr; wi = wi * wpr + wtemp * wpi + wi; } mmax = istep; } return; } From owner-structural-nmr@net.bio.net Mon Sep 16 23:00:00 1996 Path: biosci!rutgers!uwm.edu!lll-winken.llnl.gov!enews.sgi.com!www.nntp.primenet.com!nntp.primenet.com!cam-news-hub1.bbnplanet.com!cpk-news-hub1.bbnplanet.com!newsfeed.internetmci.com!howland.erols.net!quagga.ru.ac.za!PAAS From: paas@giraffe.ru.ac.za Newsgroups: bionet.structural-nmr Subject: Re: looking for C-routine for FFT of Bruker FIDs Date: Tue, 17 Sep 96 09:49:23 GMT Organization: Rhodes University School of Pharmacy Lines: 22 Message-ID: <51ls73$36s_001@ru.ac.za> References: <3237BA95.4189@bruker.de> <323BFCB2.31DF@spectrospin.ch> NNTP-Posting-Host: wsap01.pharm.ru.ac.za X-Newsreader: News Xpress Version 1.0 Beta #4 In article <323BFCB2.31DF@spectrospin.ch>, Reto Koradi wrote: >Wybo Dekker wrote: If you want to do your own data processing you might look at the Science and Engineering software from Quinn-Curtis (they're on the WWW). The software is, in my experience, good and they will supply source code for a few [:)] dollars more. Andy. ------------------------------------------------------------- Mr Andy G. Soper. Rhodes University School of Pharmaceutical Sciences Electronics and DP Section P. O. Box 94 6140 Grahamstown, South Africa Voice: +27 (0)461 318 412 Fax: +27 (0)461 311 205 Email: paas@giraffe.ru.ac.za From owner-structural-nmr@net.bio.net Mon Sep 16 23:00:00 1996 Path: biosci!rutgers!uwm.edu!cs.utexas.edu!nntp.primenet.com!news-peer.gsl.net!news.gsl.net!news.sprintlink.net!news-peer.sprintlink.net!newsfeed.internetmci.com!masternews.telia.net!newsfeed.sunet.se!news01.sunet.se!sunic!umdac!news From: peterl@chem.umu.se (Peter Lundberg) Newsgroups: bionet.structural-nmr Subject: Re: NMR Data processing software for PC Windows? Date: 16 Sep 1996 21:04:55 GMT Organization: Phys Chem, University of Umea, Sweden Lines: 26 Sender: -Not-Authenticated-[5799] Distribution: world Message-ID: <51kfdn$s85@studium.student.umu.se> References: <5188t0$c97@mozo.cc.purdue.edu> <51e2mn$aam@netserv1.free.net> NNTP-Posting-Host: plgmac.chem.umu.se X-Posted-From: InterNews 1.0.6@plgmac.chem.umu.se Xdisclaimer: No attempt was made to authenticate the sender's name. In article <51e2mn$aam@netserv1.free.net> "Valentin P. Ananikov" writes: > > > > Hi, is there any NMR data processing software (freeware or shareware) > > available for PC Windows? > > > > Thanks! > > You can find the list of all available NMR software at: > > http://www.chem.umu.se/divisions/fk/EduNMRSoft13.html Newer version (v1.6.1) is available at http://www.chem.umu.se/divisions/fk/EduNMRSoft.html Just my 2 oere. 73, Peter O==O ================================== O==O O==O Peter Lundberg O==O O==O Email: peterl@chem.umu.se O==O O==O ============761.91141============= O==O From owner-structural-nmr@net.bio.net Mon Sep 16 23:00:00 1996 Path: biosci!agate!ihnp4.ucsd.edu!gondor!newsfeeder.sdsu.edu!news.sgi.com!enews.sgi.com!www.nntp.primenet.com!nntp.primenet.com!howland.erols.net!news2.digex.net!news From: numare@cnj.digex.net Newsgroups: bionet.structural-nmr Subject: Re: looking for C-routine for FFT of Bruker FIDs Date: Tue, 17 Sep 96 12:36:45 PDT Organization: DIGEX Lines: 28 Message-ID: References: NNTP-Posting-Host: dyn000006.plfd.digex.net Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Newsreader: NEWTNews & Chameleon -- TCP/IP for MS Windows from NetManage > > Which is exactly what I tried to do, but I got spectra looking like > NMR-spectra but with strange relocations of the peaks. > 17 September 1996, Tuesday, 1242 EDT Dear Wybo Need to pretreat the data by multiplication with following: 1, 1, -1, -1, 1, 1, etc Use your existing FFT routine and try above. Gook luck. Lawrence > ===================Servalys Analytical Chemistry Services================= > Wybo H. Dekker | Deilsedijk 60 | tel (31)345-652164 > wybo@servaly.hobby.nl | 4158 CH Deil, The Netherlands | fax (31)345-652383 > From owner-structural-nmr@net.bio.net Tue Sep 17 23:00:00 1996 Path: biosci!PICASSO.UCSF.EDU!liu From: liu@PICASSO.UCSF.EDU (He Liu) Newsgroups: bionet.structural-nmr Subject: protein secondary structure Date: 17 Sep 1996 23:34:09 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 10 Sender: daemon@net.bio.net Distribution: world Message-ID: <199609180633.XAA04138@picasso.ucsf.EDU> NNTP-Posting-Host: net.bio.net Hi Everyone, I am looking for software that generates figures and postscript file for protein secondary structures contacts, i.e., figures that summarize HN(i)-HN(i-1), etc. constraints and chemical shift index. The inputs are resonance assignment and NOE cross peaks. Thanks in advance for your help! He Liu From owner-structural-nmr@net.bio.net Wed Sep 18 23:00:00 1996 Path: biosci!POUND.COH.ORG!ycyuan From: ycyuan@POUND.COH.ORG ("Yate-Ching Yuan") Newsgroups: bionet.structural-nmr Subject: C-13(delta) chemical shift for protein secondary structure prediction Date: 19 Sep 1996 11:29:34 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 22 Sender: daemon@net.bio.net Distribution: world Message-ID: <9609191154.ZM12097@pound.coh.org> NNTP-Posting-Host: net.bio.net Hi, I remembered someone mentioned using C-13(delta) chemical shift to predict protein secondary structure at XVIIth ICMRBS meeting. I can't find any paper reference related to this topic. Any insights and the comparison of this data with traditional 13C(alpha) infomation will be highly appreciated! Thanks in advance for your information! Yate-Ching -- ------------------------------------------------- Yate-Ching Yuan, Ph.D. Division of Immunology, Beckman Research Institute of The City of Hope 1450 East Duarte Road, Duarte, CA 91010-0269 Phone: (818)359-8111 ext 3443, Fax:(818)301-8186 ------------------------------------------------- From owner-structural-nmr@net.bio.net Thu Sep 19 23:00:00 1996 Path: biosci!rutgers!uwm.edu!cs.utexas.edu!nntp.primenet.com!arclight.uoregon.edu!usenet.eel.ufl.edu!warwick!lyra.csx.cam.ac.uk!bioc.cam.ac.uk!bos From: bos@bioc.cam.ac.uk (Brian Smith) Newsgroups: bionet.structural-nmr Subject: Re: 2D NMR processing software Date: 20 Sep 1996 14:13:41 GMT Organization: Somewhere in the University of Cambridge Lines: 14 Distribution: bionet Message-ID: <51u8ql$9hr@lyra.csx.cam.ac.uk> References: <51t86o$69p@mserv1.dl.ac.uk> NNTP-Posting-Host: hades.bioc.cam.ac.uk Wayne Boucher's Azara package is available from our ftp site see: http://nirvana.bioc.cam.ac.uk/ or ftp://ftp.bio.cam.ac.uk/pub/azara/ -- Brian Smith Dept. of Biochemistry, email: bos@bioc.cam.ac.uk University of Cambridge, Tel: +44 (0)1223 333744/679/499 Cambridge. CB2 1QW. From owner-structural-nmr@net.bio.net Thu Sep 19 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: ramakrishna Newsgroups: bionet.structural-nmr Subject: 2D NMR processing software Date: 20 Sep 1996 05:56:56 +0100 Lines: 8 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <51t86o$69p@mserv1.dl.ac.uk> MIME-Version: 1.0 Original-To: Structural-nmr group dear netters, i would like to know if software for 2D NMR data processing for platforms like SGI, DecAlfa etc., available in public domain. any info in this regard will be greatly appreciated. thanks in advance, ramkrishna From owner-structural-nmr@net.bio.net Thu Sep 19 23:00:00 1996 Newsgroups: bionet.structural-nmr Path: biosci!agate!newsgate.duke.edu!news.duq.edu!newsfeed.pitt.edu!gatech!arclight.uoregon.edu!usenet.eel.ufl.edu!news-peer.gsl.net!news.gsl.net!uwm.edu!nntp.primenet.com!news.sgi.com!news.msfc.nasa.gov!newsfeed.internetmci.com!vixen.cso.uiuc.edu!uchinews!news From: Tobin Sosnick Subject: Chicago: Postdoc in protein folding X-Nntp-Posting-Host: lab-sosnick.uchicago.edu Message-ID: Sender: news@midway.uchicago.edu (News Administrator) Organization: University of Chicago -- Academic Computing Services Date: Fri, 20 Sep 1996 13:03:45 GMT Lines: 49 Post-doctoral position in protein folding and stability at the University of Chicago. Our primary research focuses on the mechanisms, rates, and denatured states in protein folding. These studies use a variety of techniques including stopped-flow and NMR spectroscopies, hydrogen exchange methods and small-angle X-ray scattering. The lab has modern stopped-flow CD/fluor. and hydrogen exchange quench-flow capabilities along with ample access to departmental 500 and 600 MHz NMR spectrometers. Prior experience in any of these areas is highly desirable but not essential. Please send applications including CV and the names of at least two references either by electronic or regular mail to Prof. Tobin Sosnick trsosnic@midway.uchicago.edu Dept. of Biochemistry & Molecular Biol. University of Chicago 920 E. 58th Street Chicago, Il 60637 The University of Chicago is an Affirmative Action/Equal Opportunity Employer Selected references: Sosnick, T.R., Mayne, L., & Englander, S.W. (1996) Molecular collapse: the rate-limiting step in two-state cytochrome c folding, Proteins 24, 413-426. Sosnick, T.R. Jackson, S., Wilk, R.R., Englander, S.W., & DeGrado, W.F. (1996) The role of helix formation in the folding of a fully a-helical coiled coil, Proteins 24, 427-432. Bai, Y., Sosnick, T.R., Mayne, L., & Englander, S.W. (1995) Protein folding intermediates studied by native-state hydrogen exchange. Science 269, 192-197. Sosnick, T.R., Mayne, L., Hiller, R., and Englander, S.W. (1994) The Barriers in Protein Folding, Nature Struct. Biol. 1, 149-156. Sosnick, T.R., and Trewhella, J. (1992) Denatured states of ribonuclease A have compact dimensions and residual secondary Structure, Biochemistry 31, 8329-8335. From owner-structural-nmr@net.bio.net Thu Sep 19 23:00:00 1996 Path: biosci!agate!spool.mu.edu!newspump.sol.net!news.inc.net!uwm.edu!cs.utexas.edu!swrinde!news.sgi.com!esiee.fr!jussieu.fr!univ-angers.fr!ciril.fr!u-strasbg.fr!news From: Kieffer Bruno Newsgroups: bionet.structural-nmr Subject: Re: protein secondary structure Date: Fri, 20 Sep 1996 12:37:09 +0200 Organization: CRC - Universite Louis Pasteur - Strasbourg France Lines: 19 Message-ID: <324273D5.2C67@bali.u-strasbg.fr> References: <199609180633.XAA04138@picasso.ucsf.EDU> NNTP-Posting-Host: pantar.u-strasbg.fr Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 2.01 (X11; I; AIX 1) He Liu wrote: I have written a small utility program that does exactly what you need: you can download it by anonymous ftp at : ftp://bali.u-strasbg.fr/pub/tnoe.tar The tar file contains an example which shows the program capabilities. -- _____________________________________________________________________ Bruno KIEFFER ECOLE SUPERIEURE DE BIOTECHNOLOGIE DE STRASBOURG Boulevard Sebastien Brant, Pole API 67400 STRASBOURG-ILLKIRCH FRANCE Fax : (0033) 88.65.52.62 Voice : (0033) 88.65.52.71 From owner-structural-nmr@net.bio.net Thu Sep 19 23:00:00 1996 Path: biosci!agate!spool.mu.edu!newspump.sol.net!www.nntp.primenet.com!nntp.primenet.com!news.sgi.com!news.msfc.nasa.gov!newsfeed.internetmci.com!in1.uu.net!munnari.OZ.AU!news.unimelb.EDU.AU!tracy From: tracy@gjok@austin.unimelb.edu.au (Tracy Nero) Newsgroups: bionet.structural-nmr Subject: Australian Medicinal & Agricultural Chemistry Conference Dec 1996 Date: 20 Sep 1996 06:11:34 GMT Organization: La Trobe University, Victoria, Australia Lines: 33 Distribution: world Message-ID: <51tcim$bag@news.unimelb.EDU.AU> NNTP-Posting-Host: tango.austin.unimelb.edu.au Please excuse multiple copies due to cross posting. ROYAL AUSTRALIAN CHEMICAL INSTITUTE MEDICINAL & AGRICULTURAL DIVISION 13TH NATIONAL CONFERENCE "UP AND COMING RESEARCH IN AUSTRALIA" 8-11 DECEMBER, 1996, Monash University, Clayton 3168, Victoria, Australia Just a reminder that abstracts are due to Dr Margaret Wong by 30th Sept. Postscript versions of the conference brochure and registration form are available from our web page: http://www.chem.swin.edu.au/ma/mconf.html cheers, Tracy Nero, PhD Clinical Pharmacology and Therapeutics Unit, Dept. of Medicine, The University of Melbourne, Austin Campus, Austin and Repatriation Medical Centre, Heidelberg, 3084, Victoria, Australia tracy@austin.unimelb.edu.au Ph. 61 3 94965052 Fax 61 3 94593510 From owner-structural-nmr@net.bio.net Thu Sep 19 23:00:00 1996 Path: biosci!daresbury!not-for-mail From: "Alfred.Ross@Roche.com" Newsgroups: bionet.structural-nmr Subject: Re: 2D NMR processing software Date: 20 Sep 1996 16:54:29 +0100 Lines: 34 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <51uenl$f1v@mserv1.dl.ac.uk> References: <51t86o$69p@mserv1.dl.ac.uk> In-reply-to: ramakrishna <"2D NMR processing software"@RBACRX.BAS.ROCHE.COM> (Sep 20, 5:56am) Original-To: str-nmr@dl.ac.uk, ramakrishna Mr./Mrs. Ramakrishna wrote: On Sep 20, 5:56am, ramakrishna wrote: > Subject: 2D NMR processing software > dear netters, > i would like to know if software for 2D NMR data processing for > platforms like SGI, DecAlfa etc., available in public domain. any info > in this regard will be greatly appreciated. > > thanks in advance, > ramkrishna > >-- End of excerpt from ramakrishna Try CCNMR available via anonymous ftp over acca.biochem.mpg.de Alfred Ross -- ************************************* Dr. Alfred Ross NMR-Spectroscopist e-mail: alfred.ross@roche.com ******* Phone: CH-(0)61-6887029 * * Fax: CH-(0)61-6887408 * ROCHE * * * Mail: F. Hoffmann-LaRoche AG ******* (A. Ross - PRPS) Postfach CH-4070 Basel ************************************* From owner-structural-nmr@net.bio.net Thu Sep 19 23:00:00 1996 Path: biosci!PHOENIX.PRINCETON.EDU!ipelczer From: ipelczer@PHOENIX.PRINCETON.EDU (Istvan Pelczer) Newsgroups: bionet.structural-nmr Subject: Re: 2D NMR processing software Date: 20 Sep 1996 07:23:25 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 48 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <51t86o$69p@mserv1.dl.ac.uk> NNTP-Posting-Host: net.bio.net There are quite a few out there. The following has been posted before, so I just copy here the latest news about Peter's excellent collection on NMR software (etc.): > Newer version (v1.6.1) is available at > > http://www.chem.umu.se/divisions/fk/EduNMRSoft.html > > Just my 2 oere. > > 73, Peter > > O==O ================================== O==O > O==O Peter Lundberg O==O > O==O Email: peterl@chem.umu.se O==O > O==O ============761.91141============= O==O However, I am not aware of a version which could be accessible without using the www. Peter, you are reading this I guess: would you have a version available through ftp or so (just a text version)? All the best, Istvan wwww,wwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwww Istvan Pelczer, Ph.D. Email: ipelczer@princeton.edu Senior NMR Spectroscopist Princeton University Department of Chemistry, Frick Lab., ph# (609) 258 2342 Washington Road fax# (609) 258 6746 Princeton, NJ 08544, USA On 20 Sep 1996, ramakrishna wrote: > dear netters, > i would like to know if software for 2D NMR data processing for > platforms like SGI, DecAlfa etc., available in public domain. any info > in this regard will be greatly appreciated. > > thanks in advance, > ramkrishna > > > From owner-structural-nmr@net.bio.net Fri Sep 20 23:00:00 1996 Path: biosci!agate!newsgate.duke.edu!news.duq.edu!newsfeed.pitt.edu!gatech!arclight.uoregon.edu!tank.news.pipex.net!pipex!dish.news.pipex.net!pipex!news.IT.net!usenet From: stor001@pn.itnet.it (Giuliano Storti) Newsgroups: bionet.structural-nmr Subject: ***Biogenetic products Online Date: Sat, 21 Sep 1996 23:51:02 GMT Organization: ITnet Lines: 22 Message-ID: <520vcv$l16@dns2.IT.net> NNTP-Posting-Host: stor001.pn.itnet.it X-Newsreader: Forte Free Agent 1.0.82 Attention all subscribers, Our company deals in molecular biology products here in Europe. We wish to establish contact with businesses/individuals abroad who are in the position to buy and/or distribute our products. We would like to draw your attention to our Webpage, which displays and explains in full the products we offer. It can be located at URL: http://www.aliasnet.it/biology In particular, we would like to point out our recombinant polymerase, which is enjoying wide recognition throughout Europe for its exceptional amplification qualities. All of our products are of the highest quality and our prices are extremely competitive. Please e-mail us if you need more information. Sincerely, Giuliano Storti David Walden AMED italia srl stor001@pn.itnet.it From owner-structural-nmr@net.bio.net Sat Sep 21 23:00:00 1996 Path: biosci!internet!biosci!not-for-mail From: biohelp (BIOSCI Administrator) Newsgroups: bionet.structural-nmr Subject: BIOSCI/bionet miniFAQ & Fundraiser Date: 22 Sep 1996 02:00:40 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 239 Sender: daemon@net.bio.net Distribution: world Message-ID: <199609220900.CAA08636@net.bio.net> NNTP-Posting-Host: net.bio.net (LAST REVISION: 30-JUL-95) This BIOSCI "miniFAQ" is designed to answer the questions that come up the *most frequently*. The main BIOSCI FAQ (Frequently Asked Questions) is accessible on the World Wide Web at URL http://www.bio.net/. If you can not find an answer to your question in this or other documentation, the BIOSCI technical support staff answers e-mail queries sent to biosci-help@net.bio.net We can only answer questions about the use of the newsgroups and mailing lists. We unfortunately do not have the staff to do Internet information searches or answer scientific questions. Please post those to the appropriate BIOSCI/bionet newsgroups. Contents: -------- 0) BIOSCI NEEDS YOUR SUPPORT!! 1) Using the WWW to access the BIOSCI/bionet newsgroups. 2) What to do about "spams," i.e., junk mail, ads, etc. 3) Examples of subscribing and unsubscribing to the mailing lists. 4) The BIOSCI user address and research interest directory. 0) BIOSCI NEEDS YOUR SUPPORT!! ------------------------------ BIOSCI's government funding has been expended, and we are now operating solely from advertising revenue that we have raised from our Web site at http://www.bio.net/. We need just a few minutes of your time to help us serve you. You can do two important things which will take very little time for you individually and will immensely help us continue to help you. First, please use our WWW system at http://www.bio.net/ to access the archives. You can post or reply to messages via your Web browser as described in item #1 below. 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. 1) Using the WWW to access the BIOSCI/bionet newsgroups. -------------------------------------------------------- As of 10 December 1995, all BIOSCI/bionet full newsgroups are accessible through the World Wide Web (WWW) at URL http://www.bio.net. One can read and reply publicly or privately to both recent postings and archived messages through one's Web browser if it is configured properly to send e-mail. Each newsgroup is equipped with its own WAIS index. The main BIOSCI home page also has access to the BIO-JOURNALS Table of Contents database WAIS index and the BIOSCI user address database described in another item further below. 2) What to do about "spams," i.e., junk mail, ads, etc. ------------------------------------------------------- BIOSCI is a set of parallel USENET newsgroups (the "bionet" groups), mailing lists, and a hypermail archive at URL http://www.bio.net/. The same postings are distributed on all media (except for a small number of mailing-list-only groups at net.bio.net). Unfortunately it is becoming a despicable practice on the Internet (by a few people out to make a fast buck) to do automated mass postings to thousands of newsgroups and mailing lists. These attempts to grab free advertising are refered to as "spams" in the usual, somewhat boneheaded, net terminology. USENET is more susceptible to this practice, and many spams originate on the USENET groups and then are passed on to the mailing lists. However, spammers also get lists of mailing addresses and hit these too, so neither medium is immune. What should you do personally if you get junk mail? --------------------------------------------------- Just delete it and move on without reading it further. Filing a protest is becoming increasingly useless because spammers are often disguising the addresses where the messages are sent from. Unless you really understand Internet mail systems, your attempt at protest by sending replies to the message will often end up being sent to the address of an innocent person that the spammer is victimizing. What can BIOSCI/bionet do to protect its newsgroups? ---------------------------------------------------- The only solution currently available is to moderate the newsgroup. If this newsgroup is already moderated, then you are in good shape. Moderation protects the USENET distribution from about 95% of the spams that are being sent to date and protects the mailing lists completely. 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With close to 100 newsgroups to run, the BIOSCI staff has to rely on the discussion leaders of each newsgroup to report problems directly to us at biosci-help@net.bio.net. We will moderate any of our newsgroups if the discussion leader tells us that the readership of the group wishes to do so and if a moderator is willing to do the work. For most BIOSCI/bionet groups, this entails only a few minutes of work each day. Moderating a newsgroup will resolve probably 95% of the junk postings on the USENET distribution. Unfortunately there are easy ways for determined spammers to override the moderation mechanism on USENET, but we can protect our e-mail subscribers from unwanted postings if the newsgroup is moderated. You can also access our newsgroups over the WWW at URL http://www.bio.net. While this Web interface will not stop spammers from trying to post to the groups, this will give you yet another way, besides using USENET news, to keep the junk out of your personal mail files. 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Below we give an example utilizing the METHODS-AND-REAGENTS list at both of our two BIOSCI sites: Users in the Americas and Pacific Rim countries who use the BIOSCI ------------------------------------------------------------------ node at computer net.bio.net: ---------------------------- A) Determine the "listname" which is the <=8 character mail address ^^^^^^^^^^^^^ for the group. These can be found in the BIOSCI Info. Sheet. For the METHODS-AND-REAGENTS group the mailing address is methods@net.bio.net. The listname is the portion of the address to the left of the @ sign, i.e., "methods". The listname is used with the "subscribe" and "unsubscribe" commands illustrated below. B) Mail all commands in the body of a mail message addressed to biosci-server@net.bio.net. Do NOT send commands to the newsgroup posting addresses! Leave the Subject: line blank, any text on it will be ignored. 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For the METHODS-AND-REAGENTS list the USENET newsgroup name is bionet.molbio.methds-reagnts, thus the appropriate commands are sub bionet-news.bionet.molbio.methds-reagnts unsub bionet-news.bionet.molbio.methds-reagnts These commands are included in a message addressed to mxt@dl.ac.uk, NOT to the newsgroup mailing addresses. As usual, include the text in the body of the message as text on the Subject: line is ignored. To unsubscribe from all the lists at the UK node, use unsub bionet-news Please note that if the address in the list is different than the one in your mail message header, you will not be able to unsubscribe by this method. If you have problems, please mail biosci@daresbury.ac.uk. 4) The BIOSCI user address and research interest directory. ----------------------------------------------------------- Please take this opportunity to add your name, address, and research interest information to the BIOSCI User Address Database if you have not already done so. You can fill out the address form directly through our Web page at URL http://www.bio.net/adrform.html. The address database is reindexed nightly for WWW access (the URL is http://www.bio.net/). If you are not directly on the Internet but can reach it by e-mail, please use our waismail server to access the user directory. waismail use is described above. You can also request a user address form by e-mail from biosci-help@net.bio.net. Please check your database entry from time-to-time to see if your address information is still up-to-date. Because of our limited personnel resources, we ask that you resubmit a *complete* form to revise your entry; we only replace complete entries and do not have resources to edit old forms. Sincerely, Dave Kristofferson BIOSCI/bionet Manager biosci-help@net.bio.net From owner-structural-nmr@net.bio.net Sat Sep 21 23:00:00 1996 Path: biosci!ENZYME.BIM.ANL.GOV!zfeng From: zfeng@ENZYME.BIM.ANL.GOV (Zhou Feng) Newsgroups: bionet.structural-nmr Subject: Re: MONEY ??? Date: 22 Sep 1996 10:40:29 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 6 Sender: daemon@net.bio.net Distribution: world Message-ID: <9609221741.AA21117@enzyme.bim.anl.gov> NNTP-Posting-Host: net.bio.net What about forget about sending out $5 and just ask everybofy else to send you $5? If all others take the same short cut, only the post office will earn moeny. Feng Zhou From owner-structural-nmr@net.bio.net Sat Sep 21 23:00:00 1996 Path: biosci!ENZYME.BIM.ANL.GOV!zfeng From: zfeng@ENZYME.BIM.ANL.GOV (Zhou Feng) Newsgroups: bionet.structural-nmr Subject: Re: Date: 22 Sep 1996 10:43:12 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 3 Sender: daemon@net.bio.net Distribution: world Message-ID: <9609221744.AA21126@enzyme.bim.anl.gov> NNTP-Posting-Host: net.bio.net What about forget about sending out $5 and just ask everybofy else to send you $ If all others take the same short cut, only the post office will earn moeny. From owner-structural-nmr@net.bio.net Sat Sep 21 23:00:00 1996 Path: biosci!BioorgChem.uu.se!denisov From: denisov@BioorgChem.uu.se ("Aleksej Denisov") Newsgroups: bionet.structural-nmr Subject: MONEY ??? Date: 22 Sep 1996 07:46:59 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 20 Sender: daemon@net.bio.net Distribution: world Message-ID: <9609221647.ZM718@BioorgChem.uu.se> NNTP-Posting-Host: net.bio.net On Sep 20, 5:09pm, Guido Schonkeren wrote: > Subject: MONEY > Taking 5 minutes to read what follows can change your life : > I saw an article in an internet newsgroup telling me I could > make $50,000 within a month for an investment of only $5. to: Mr.G.Schonkeren and others players The idea is old and primitive: the first one will win, but MOST PARTICIPANTS WILL LOSE ONLY. Some peoples have made few millions on similar "games" ( see experience of Mr.Mavrodi in Russia ). -- ======================================================================== Dr. Aleksej Yu. Denisov phones : +46-18-17 45 77 (office) Dep't of Bioorganic Chemistry : +46-18-17 49 80 (direct) Biomedical Centre, Box 581 fax : +46-18-55 44 95 University of Uppsala e-mail : Denisov@BioorgChem.uu.se S-751 23 Uppsala, Sweden http://BioorgChem.boc.uu.se/~denisov/ ======================================================================== From owner-structural-nmr@net.bio.net Mon Sep 23 23:00:00 1996 Path: biosci!bcm.tmc.edu!cs.utexas.edu!swrinde!news.sgi.com!www.nntp.primenet.com!nntp.primenet.com!cpk-news-hub1.bbnplanet.com!newsfeed.internetmci.com!news.ycc.yale.edu!news From: "Axel T. Brunger" Newsgroups: bionet.structural-nmr Subject: XPLOR(online) 3.843 available Date: Tue, 24 Sep 1996 02:02:03 -0400 Organization: Howard Hughes Medical Institute Lines: 201 Message-ID: <3247795B.2781@laplace.csb.yale.edu> NNTP-Posting-Host: wilson.csb.yale.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0Gold (X11; I; IRIX 5.3 IP22) Announcing: X-PLOR(online) --------------------------------- New version: 3.843 9/23/96 --------------------------------- Copyright 1996 by Yale University --------------------------------- --------------------------------- Internet access to X-PLOR(online) version 3.843 is now available for non-profit (academic) users holding a license for X-PLOR version 3.1 from Yale University, free of charge. This version is only available via the Internet. Access instructions are available in our home page http://xplor.csb.yale.edu. The procedure is identical to that of version 3.840. IT IS IMPORTANT THAT YOU DOWNLOAD AND INSTALL ALL FILES IN THE xploron3843_main.tar FILE (SOURCE, XTALMACRO, TOPPAR, XTALLIB, NMRLIB, TUTORIAL, DATACONVERSION). DO NOT MIX FILES FROM DIFFERENT VERSIONS. Features of X-PLOR(online), version 3.843 ----------------------------------------- Summary: X-ray crystallography: 1. Major update of all X-ray crystallographic tutorial files using new syntax. 2. torsion angle molecular dynamics for crystallographic refinement. 3. probabilistic MAD phasing. 4. sigmaa-weighting for electron density maps with optional cross-validation. 5. difference, anomalous difference, and Fo-Fc electron density maps. 7. Cross-validated coordinate error estimates by Luzzati and Sigmaa method. 8. Script files for molecular replacement with multiple molecules 9. Automated water picking procedure 10. New bulk solvent refinement procedure 11. Example for resolution-dependent weigthing scheme for refinement 12. Direct rotation function. 13. Phased translation function. 14. scalepack/denzo -> X-PLOR(online) conversion program 15. X-PLOR(online) -> PDB deposition script (for crystal structures) Solution NNR spectroscopy: 1. J-coupling restraints 2. proton chemical shift restraints 3. carbon chemical shift restraints General Remarks --------------- 1. For several months, new parameter and topology files for DNA and RNA (dna-rna.top and dna-rna.param) have been available (developed by Prof. Helen Berman and co-workers). These parameters are much improved compared to the older DNA parameters of X-PLOR 3.1. The new parameters can be used in conjunction with the Engh and Huber parameters for proteins (parhcsdx.pro and parhcsdx.pro). DNA and RNA molecules may require some additional restraints. The arestraints.inp and brestraints.inp in tutorial/generate/ provide examples how to use these additional restraints. 2. Electrostatic energy terms have been removed from all crystallographic refinement protocols in order to reduce possible bias. Removal of hydrogens is optional. 3. Unsupported machine versions are now available for DEC alpha VMS and IBM AIX. Release Notes for X-PLOR(online), version 3.843 ----------------------------------------------- 1. The statement REFL INDEX FOBS will now read negative phases properly. 2. R-Cullis is now included in phasing macros. 3. Separate statistical summaries are generated for centric, acentric, and all reflections for phasing power, fom, R-Cullis, R-Kraut, lack of closure in phasing macros. 4. The default for XREFin ASELEction has been changed. It is now equivalent to ASELE=( attribute scatter_fdp > 0.1 ), i.e., for all atoms with f'' > 0.1 the imaginary part of the form factor will be included in the structure factor calculation if ANOMALOUS is set to TRUE. Note that the computation of atoms with f'' included uses the direct summation, i.e., it is very slow. The scattering tables have f'' components for all atoms (including carbon, nitrogen, etc) although f'' is very small for the latter atoms. Thus, by introducing the threshold of 0.1 only those atoms with significant f'' are included in the anomalous structure factor calculation. 5. There is a new X-PLOR(online) directory: /dataconversion/ This directory contains programs and script files for communication with other programs and the Brookhaven Data Bank. 6. Scalepack-> X-PLOR(online): sclpckxplor.f ! scalepack to X-PLOR(online) conversion program is now in directory: /dataconversion/denzo_scalepack/. Note that this program treats anomalous as well as non-anomalous data. 7. PDB crystal structure submission: in dataconversion/pdb_xtal_submission/xtal_submit.inp This file provides most of the information needed for PDB submission when X-PLOR(online) is used for crystallographic refinement. However, some additional information may have to be provided by the user and checking of the resulting deposition file is advised. 8. Difference map examples in /tutorial/mad directory: experimental map, dispersive difference map and anomalous difference map with several cutoff and selection criteria. 9. Updated tutorial files using new X-PLOR(online) syntax, libraries, cross-validation for X-ray refinement, molecular replacement, and electron density map calculations. 10. Cross-validated Luzzati coordinate error estimate (/tutorial/xtal_analysis/luzzati.inp). 11. Cross-validated sigmaa coordinate error estimate (/tutorial/xtal_analysis/sigmaa.inp). 12. New Wilson plot and quasi-absolute scaling procedure in /tutorial/xtal_analysis/wilson.inp. 13. A Euclidean normalizer library has been created. The translation search example files in /tutorial/xtalmr/ files have been updated to automatically define the asymmetric unit of the translation function using this library. 14. Electrostatic energy terms have been removed from all crystallographic refinement protocols. 15. Updated fo-fo, nfo-mfc, sigmaa-weighted, annealed omit maps in /tutorial/xtal_maps/. 16. Cross-validation of sigmaa-weighting for electron density maps. 17. All 1-D plot files produced by X_PLOR(online) consist of lists of numbers that can be cut and pasted into popular spreadsheet programs. MATHEMATICA example files are also provided. 18. New automated water-picking protocol in /xtal_waterpick/waterpick.inp. 19. New automated bulk solvent model parameter refinement (/tutorial/xtalrefine/setup_bulksol.inp). 20. Example for resolution-dependent weighting for crystallographic refinement (/tutorial/xtalrefine/resolution_dependent.inp). 21. NMR proton and carbon chemical shift restraints (/tutorial/nmr_shift_coup/mini_shift_coup.inp) see 0read.me file. 22. NMR J-coupling restraints (/tutorial/nmr_shift_coup/mini_shift_coup.inp) see 0read.me file. 23. Degenerate proton restraints (/tutorial/nmr_shift_coup/mini_shift_coup_degen.inp) see 0read.me file. 24. One-bond 1JCaHa J-coupling restraints (/tutorial/nmr_shift_coup/mini_shift_coup_onebond.inp). 25. There are unsupported machine versions available for DEC alpha VMS in machine/unsupported/alpha-vms and IBM AIX in machine/unsupported/ibmaix Axel T. Brunger -- ======================================================================= | Axel T. Brunger Dept. Molecular Biophysics and Biochemistry| | Professor/Investigator Bass Center, 266 Whitney Avenue | | Office: 203-432-6143 Howard Hughes Medical Institute/Yale Univ. | | FAX: 203-432-6946 New Haven, CT 06520, USA. | | http://xplor.csb.yale.edu/~brunger | | mailto://brunger@laplace.csb.yale.edu | ======================================================================= From owner-structural-nmr@net.bio.net Tue Sep 24 23:00:00 1996 Path: biosci!MRR.COM!jon From: jon@MRR.COM (Jon Webb) Newsgroups: bionet.structural-nmr Subject: ISO 9002 Date: 25 Sep 1996 08:05:54 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 37 Sender: daemon@net.bio.net Distribution: world Message-ID: <2.2.32.19960925150211.006d3d14@mrr.com> NNTP-Posting-Host: net.bio.net Dear Colleagues, MR Resources is proud to announce that it has recently begun the process of ISO 9002 registration. ISO 9002 is a set of internationally recognized quality standards. Compliance with these standards will significantly improve and document our company's processes and procedures, and result in NMR products and services of the highest possible quality. Our company is pursuing ISO 9002 in collaboration with Merrimack College and the Central Massachusetts Manufacturing Partnership. We have set a goal to achieve compliance and registration by Fall of 1997. Best regards, Jon ____________________________________________________________________________ ________ Jon Webb M R Resources, Inc Remanufactured NMR & MRI Systems, Parts and Services 158 R Main Street P.O. Box 880 Gardner, MA 01440 Voice: 508-632-7000 Fax: 508-630-2509 Email: jon@mrr.com Web Site: http://www.mrr.com ____________________________________________________________________________ ________ From owner-structural-nmr@net.bio.net Tue Sep 24 23:00:00 1996 Path: biosci!cc.UManitoba.CA!foniok From: foniok@cc.UManitoba.CA (Tadeusz Foniok) Newsgroups: bionet.structural-nmr Subject: subscribe Date: 25 Sep 1996 13:05:37 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 1 Sender: daemon@net.bio.net Distribution: world Message-ID: <9609252005.AA09688@antares.cc.umanitoba.ca> NNTP-Posting-Host: net.bio.net Subscribe From owner-structural-nmr@net.bio.net Tue Sep 24 23:00:00 1996 Path: biosci!agate!howland.erols.net!news-peer.gsl.net!news.gsl.net!news-lond.gsl.net!news.gsl.net!news-feed1.globalnet.co.uk!news-feed3.globalnet.co.uk!usenet From: Giles Newport Newsgroups: bionet.structural-nmr Subject: media services Date: Tue, 24 Sep 1996 04:24:39 +0000 Organization: Resolution Design Ltd Lines: 28 Message-ID: <3247626F.76B8@resolutiondesign.co.uk> Reply-To: Sales@resolutiondesign.co.uk NNTP-Posting-Host: client8369.globalnet.co.uk Mime-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-Mailer: Mozilla 3.0 (Macintosh; I; PPC) RESOLUTION DESIGN LTD 311 The Linen Hall, 162-168 Regent St, London, W1R 5TB Tel: 0171 287 5887 Fax: 0171 287 4937 ISDN2: 0171 734 8515 E-mail: sales@resolutiondesign.co.uk 24/09/96 Dear Sir, Resolution Design has 12 years of experience in Medical Publishing, offering full media services. We specialize in taking manuscripts to completion, designing, typesetting, illustrating, scanning and producing the film, giving the client full control at anytime. We realise how tight deadlines can be, our scanning shows all the detailing in the right colour and our illustrations follow “house” style. We treat every client as our “best” client and endeavour to supply a service making your life easier. For examples of work or to see exactly what we can offer please do not hesitate to contact us Yours sincerely Giles Newport From owner-structural-nmr@net.bio.net Thu Sep 26 23:00:00 1996 Path: biosci!CSB0.IPC.PKU.EDU.CN!owner From: owner@CSB0.IPC.PKU.EDU.CN (Lists Owner) Newsgroups: bionet.structural-nmr Subject: welcome to sbl Date: 27 Sep 1996 04:06:48 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 49 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net ********** Welcome to the Structural Biology List! ********** Structural biology has already drawn much attention: it opens the door to a new era of biology. We announce here that a mailing list for structural biologists has been created. It will bring biologists/chemists/pharmacists all across the globe together to a new electronic frontier. The list server locates at the Institute of Physical Chemistry, Peking University, Beijing, China. We send this mail to invite your membership. The suggested topics of this mailing list include: o Macromolecular crystallography o NMR and other spectroscopies o Molecular modeling and design o Structure-based drug design and QSAR o Bioinformatics o Theoretical and computational biology To subscribe, you only need to send a short mail to owner@ipc.pku.edu.cn like this, "please add me to the SBL ..." while stating your name, title, e-mail, address, country and academic interests. Or you can save your time by filling out the following form and send it back to owner@ipc.pku.edu.cn. No fee and no restriction to subscribe. --------------- Structural Biology Mailing List -------------- ---------------------- Membership Form ---------------------- Name: Title: Address: Country: E-mail: Academic interests: -------------------------------------------------------------- Please forward this message to your friends as many as possible. Thank you for concern. Prof. Luhua Lai Institute of Physical Chemistry Peking University, Beijing, P.R.China From owner-structural-nmr@net.bio.net Thu Sep 26 23:00:00 1996 Path: biosci!agate!howland.erols.net!news2.digex.net!news From: numare@cnj.digex.net Newsgroups: bionet.structural-nmr Subject: Re: C-routine for FFT of Bruker FIDs Date: Fri, 27 Sep 96 10:54:20 PDT Organization: DIGEX Lines: 12 Message-ID: References: NNTP-Posting-Host: dyn000010.plfd.digex.net Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Newsreader: NEWTNews & Chameleon -- TCP/IP for MS Windows from NetManage WYBO FOURIER TRANSFORMS IN NMR, OPTICAL, AND MASS SPECTROSCOPY A USER'S HANDBOOK ALAN G. MARSHALL AND FRANCIS R. VERDUN ELSEVIER, 1990 ISBN 0-444-87360-0 PP 113-30 (SEE P 118 END OF 1ST PARAGRAPH) LAWRENCE From owner-structural-nmr@net.bio.net Thu Sep 26 23:00:00 1996 Path: biosci!servaly.hobby.nl!wybo From: wybo@servaly.hobby.nl (Wybo Dekker) Newsgroups: bionet.structural-nmr Subject: C-routine for FFT of Bruker FIDs Date: 27 Sep 1996 05:39:46 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 64 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net Lawrence wrote: > Need to pretreat the data by multiplication with following: > > 1, 1, -1, -1, 1, 1, etc > > Use your existing FFT routine and try above. but I am not sure about how to interpret this hint. My ARX-400 FID file contains 32768 complex datapoints, each point consisting of two 4-byte signed integers, as follows: real1, imag1, real2, imag2, real 3, imag3, ... where I suppose that the real points come from one quadrature channel and the imaginary ones from the other. Now I could take the hint as either: invert every second complex datapoint, (which is equivalent to: invert words 3,4, 7,8, 11,12, ...), or: invert complex datapoints 3,4, 7,8, 11,12, ... I tried both possibilities, but didn't get the spectrum right. You would oblige me very much telling me which of my interpretations is the right one. Or perhaps you may have another suggestion? Finally, I have some doubt whether my FFT-routine is alright (which is why I was asking for one on the internet). I translated my routine from a Fortran complex FFT-routine. I tested it by feeding it a dataset of all zeros except one datapoint, which I set to 1. By I am not able to tell if the results are correct. Just in case you can tell me, I insert the results here: If I set the real part of the *third* datapoint to 1 and transform, then the real datapoints contain exactly 2 cosine waves, and the imaginary datapoint contain exactly 2 inverted sine waves: \ /\ /\ /\ /\ \ / \ / \ / \ / \ \ / \ / \ \ / \ / \/ \/ \ \/ \/ <------real--------> <----imaginary--> If I set the real part of the *second* datapoint to 1 and transform, then the real datapoints contain zeros in the first half and a half negative cosine in the second half, and the imaginary datapoints contain also zeros in the first half and a half sine wave in the second half: / /\ / / \ ---------- / ----------/ \ / / <------real--------> <----imaginary--> Perhaps you can see immediately if this is right or wrong? ===================Servalys Analytical Chemistry Services================= Wybo H. Dekker | Deilsedijk 60 | tel (31)345-652164 wybo@servaly.hobby.nl | 4158 CH Deil, The Netherlands | fax (31)345-652383 From owner-structural-nmr@net.bio.net Sat Sep 28 23:00:00 1996 Path: biosci!agate!spool.mu.edu!newspump.sol.net!www.nntp.primenet.com!nntp.primenet.com!howland.erols.net!news-peer.gsl.net!news.gsl.net!portc01.blue.aol.com!newstf01.news.aol.com!newsbf02.news.aol.com!not-for-mail From: mike6747@aol.com (Mike6747) Newsgroups: bionet.structural-nmr Subject: enc Date: 29 Sep 1996 11:11:28 -0400 Organization: America Online, Inc. (1-800-827-6364) Lines: 3 Sender: root@newsbf02.news.aol.com Message-ID: <52m3j0$7r4@newsbf02.news.aol.com> Reply-To: mike6747@aol.com (Mike6747) NNTP-Posting-Host: newsbf02.mail.aol.com anyone have the dates for 97 enc thanks michael From owner-structural-nmr@net.bio.net Sun Sep 29 23:00:00 1996 Newsgroups: bionet.structural-nmr Path: biosci!agate!howland.erols.net!cam-news-hub1.bbnplanet.com!uunet!in1.uu.net!utcsri!utgpu!utinfo!bloch.med.utoronto.ca!gardner From: gardner@bloch.med.utoronto.ca (Kevin Gardner) Subject: Re: enc X-Nntp-Posting-Host: bloch.med.utoronto.ca Message-ID: Sender: nntp@utcc.utoronto.ca (News) Organization: UTCC Campus Access X-Newsreader: TIN [version 1.2 PL2] References: <52m3j0$7r4@newsbf02.news.aol.com> Date: Mon, 30 Sep 1996 01:07:07 GMT Lines: 19 Mike6747 (mike6747@aol.com) wrote: : anyone have the dates for 97 enc : thanks According to the NMRFAM gopher server (gopher://gopher.nmrfam.wisc.edu/ 0/meetings): 3/23-27: The 38th Experimental NMR Conference, Orlando, Florida, USA; conference office, 815 Don Gaspar, Santa Fe, NM 87501; tel 505-989-4573. Cheers, Kevin -- ************************************************************************* Kevin Gardner gardner@bloch.med.utoronto.ca University of Toronto http://abragam.med.utoronto.ca/~gardner Dept. of Medical Genetics & Microbiology phone: 416-978-0642/FAX: -6885 From owner-structural-nmr@net.bio.net Mon Sep 30 23:00:00 1996 Path: biosci!ksu.edu!krish From: krish@ksu.edu (Ramaswa Krishnamoorthi) Newsgroups: bionet.structural-nmr Subject: subscribe Date: 1 Oct 1996 08:05:42 -0700 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 2 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net subscibe From owner-structural-nmr@net.bio.net Mon Sep 30 23:00:00 1996 Path: biosci!agate!howland.erols.net!vixen.cso.uiuc.edu!news.indiana.edu!indyvax.iupui.edu!physics.nmr.iupui.edu!user Newsgroups: bionet.structural-nmr,sci.techniques.mag-resonance Subject: UNITY RF Consoles for Sale Message-ID: From: bray@indyvax.iupui.edu (Bruce D. Ray) Date: Tue, 01 Oct 1996 12:23:41 +0000 Organization: IUPUI Physics Dept. Nntp-Posting-Host: physics.nmr.iupui.edu Lines: 49 Xref: biosci bionet.structural-nmr:1538 sci.techniques.mag-resonance:1758 We wish to sell a 500 MHz Varian UNITY RF Console (without host computer, probes, or magnet) with the following options: a. 2 fully broadbanded (6-530 MHz) RF channels b. programmable pulse modulator (shaped pulse capability) on each channel (2 programmable pulse modulator boards) c. High stability variable temperature unit d. DMA capable Host-Acquisition Link (HAL) board e. Varian-Oxford 20 channel shim power supply and NB shim stack Asking: $100,000. Will accept offers. We wish also to entertain offers on a 300 MHz Varian UNITY RF console (without host computer, probes, or magnet) with the following options: a. 2 fully broadbanded (6-320 MHz) RF channels b. programmable pulse modulator (shaped pulse capability) on the first channel (1 programmable pulse modulator board) c. High stability variable temperature unit d. DMA capable Host-Acquisition Link (HAL) board e. Varian-Oxford 18 channel shim power supply. Asking $65,000. Will accept offers. Please contact: Bruce D. Ray bray@indyvax.iupui.edu Operations Director NMR Center IUPUI Physics Dept. 402 N. Blackford St. Indianapolis, IN 46202-3273 Phone: (317) 274-6914 fax: (317) 274-2393 From owner-structural-nmr@net.bio.net Mon Sep 30 23:00:00 1996 Path: biosci!agate!spool.mu.edu!uwm.edu!news-peer.gsl.net!news.gsl.net!news-penn.gsl.net!news.gsl.net!snunews.snu.ac.kr!usenet From: "Lee, Ji Hyun" Newsgroups: bionet.structural-nmr,bionet.molbio.proteins Subject: Non-duterated DPC(Dodecylphosphocholine) Date: Tue, 01 Oct 1996 21:41:24 +0900 Organization: College of Pharmacy, Seoul National University Lines: 16 Message-ID: <32511174.23D2@plaza.snu.ac.kr> Reply-To: newera@plaza.snu.ac.kr NNTP-Posting-Host: 147.46.8.60 Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0 (Win95; I) Xref: biosci bionet.structural-nmr:1536 bionet.molbio.proteins:8888 I have plan to elucidate structure of micelle-bound peptide by NMR. For preliminary experiment I am trying to measure CD(Circular dichroism) spectrum of my peptide in several kinds of membrane-like detergent solutions such as SDS(sodium dodecylphosphate), DPC(Dodecylphosphocholine). Now, I got a problem that I don't know how I can get such detergent especially DPC, DPG(Dodecylphosphoglycol). 1. I'd like to have some information on how to contact with companies dealing with such detergent. Of course since CD doesn't require duterated detergent, I need non-duterated DPC, DPG. 2. Could you tell me any newsgroup involved with such items. Send me either above, please. I searched sigma catalog for nothing. Thanks.