From chemistry-request@server.ccl.net Sun Jun 3 07:37:02 2001 Received: from md.huji.ac.il ([132.64.169.2]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f53Bb0515047 for ; Sun, 3 Jun 2001 07:37:01 -0400 Received: from localhost (anvarr@localhost) by md.huji.ac.il (8.9.3/8.9.3) with ESMTP id OAA817279 for ; Sun, 3 Jun 2001 14:37:00 +0300 (IDT) Date: Sun, 3 Jun 2001 14:36:59 +0300 From: Anwar Rayan To: Subject: RAMACHANDRAN PLOT Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear all, I am wondering if I can find the numerical values of PHI/PSI for each amino acid type as drawn in RAMACHANDRAN PLOTS? what are the values of PHI/PSI allowed for each amino acid according to RAMACHANDRAN? THANKS IN ADVANCE ANWAR RAYAN ------------------------------------- Dr. Anwar Rayan Department of Medicinal Chemistry School of Pharmacy The Hebrew University of Jerusalem P.O.B. 12065 Jerusalem 91120 Israel Tel: +972-2-6757539 Mobile: +972-55-848-338 Fax: +972-2-6410-740 Email: anvarr@md.huji.ac.il ------------------------------------- From chemistry-request@server.ccl.net Sun Jun 3 10:12:21 2001 Received: from hermes.bmc.uu.se ([130.238.39.159]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f53ECL520347 for ; Sun, 3 Jun 2001 10:12:21 -0400 Received: from XRAY.bmc.uu.se ([130.238.37.10]) by hermes.bmc.uu.se (Post.Office MTA v3.5.3 release 223 ID# 0-62649U1500L1000S0V35) with ESMTP id se; Sun, 3 Jun 2001 16:13:47 +0200 Received: from zorn.bmc.uu.se (IDENT:spoel@zorn.bmc.uu.se [130.238.37.95]) by XRAY.bmc.uu.se (8.9.3/8.8.7) with ESMTP id QAA16470; Sun, 3 Jun 2001 16:12:57 +0200 Date: Sun, 3 Jun 2001 16:12:17 +0200 (CEST) From: David van der Spoel X-Sender: spoel@zorn.bmc.uu.se To: Anwar Rayan cc: CHEMISTRY@ccl.net Subject: Re: CCL:RAMACHANDRAN PLOT In-Reply-To: Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII On Sun, 3 Jun 2001, Anwar Rayan wrote: > >Dear all, > >I am wondering if I can find the numerical values of PHI/PSI for each >amino acid type as drawn in RAMACHANDRAN PLOTS? what are the values of >PHI/PSI allowed for each amino acid according to RAMACHANDRAN? > @Article{Ramachandran63, author = {G. N. Ramachandran and C. Ramakrishnan and V. Sasisekharan}, title = {Stereochemistry of Polypeptide Chain Configurations}, journal = {J. Mol. Biol.}, year = 1963, volume = 7, pages = {95-99} } @Article{Ramachandran66, author = {G. N. Ramachandran and C. M. Venkatachalam and S. Krimm}, title = {Stereochemical Criteria for Polypeptide and Protein Chain Conformations}, journal = {Biophys. J.}, year = 1966, volume = 6, pages = {849-872} } @Article{Ramachandran68, author = {G. N. Ramachandran and V. Sasisekharan}, title = {Conformation of Polypeptides and Proteins}, journal = {Advan. Protein Chem.}, year = 1968, volume = 23, pages = {283-437} } Groeten, David. ________________________________________________________________________ Dr. David van der Spoel Biomedical center, Dept. of Biochemistry s-mail: Husargatan 3, Box 576, 75123 Uppsala, Sweden e-mail: spoel@xray.bmc.uu.se www: http://zorn.bmc.uu.se/~spoel phone: 46 18 471 4205 fax: 46 18 511 755 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ From chemistry-request@server.ccl.net Sun Jun 3 20:19:55 2001 Received: from ce.fis.unam.mx ([132.248.33.1]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f540Js525772 for ; Sun, 3 Jun 2001 20:19:54 -0400 Received: (from ramon@localhost) by ce.fis.unam.mx (8.9.3/8.9.3) id TAA18047 for chemistry@ccl.net; Sun, 3 Jun 2001 19:11:49 -0700 (PDT) From: Ramon Garduno Message-Id: <200106040211.TAA18047@ce.fis.unam.mx> Subject: OpenGl on Win98 To: chemistry@ccl.net (CCL POST MSG) Date: Sun, 03 Jun 2001 19:11:48 PDT X-Mailer: Elm [revision: 212.2] Dear CCLers: I am wondering if any of you has managed to build (or purchased) a PC system that can support OpenGl based molecular display programs on WIN98. A few days ago another CCL member told me that there was information on the CCLnet about a machine built for less of $1000 USD that included 3D video accelerator cards such as GeForce3 or Voodoo, but I can not find the link. Much obliged, Ramon Garduno -- "There are so many ways.... There is so little time...." "Hay tantos caminos..... Pero, hay tan poco tiempo....." ___________________________________________________________________________ Dr. Ramon Garduno-Juarez Research Professor in Biophysics CENTRO DE CIENCIAS FISICAS | EMAIL: ramon@ce.fis.unam.mx UNIVERSIDAD NAL. AUTONOMA DE MEXICO | Apdo. Postal 48-3 | VOICE: +52(5)6227749 ; +52(7)3291749 62251 Cuernavaca, Morelos | MEXICO | FAX: +52(5)6227775 & +52(7)3291775 ___________________________________EOF ____________________________________ From chemistry-request@server.ccl.net Sun Jun 3 23:11:59 2001 Received: from mail.shcnc.ac.cn ([202.127.16.22]) by server.ccl.net (8.11.0/8.11.0) with ESMTP id f543Bv526906 for ; Sun, 3 Jun 2001 23:11:58 -0400 Received: from PC18 ([202.127.19.225]) by mail.shcnc.ac.cn (8.9.3/8.9.3) with SMTP id LAA22677 for ; Mon, 4 Jun 2001 11:10:54 +0800 (CDT) Message-Id: <200106040310.LAA22677@mail.shcnc.ac.cn> Date: Mon, 4 Jun 2001 11:6:52 +0800 From: bxiong To: "chemistry@ccl.net" Subject: how to calculate the covalent binding energy? X-mailer: FoxMail 3.0 beta 2 [cn] Mime-Version: 1.0 Content-Type: text/plain; charset="GB2312" Content-Transfer-Encoding: 7bit hello all members: I need your help!!! When I want to calculate the binding energy of the protein and ligand,I find my ligand covalently combined with the protein. how can we tackle this problem? Does any one know the empirical method to calculate it?any reference or answers will be helpful! thanks again !! Best regards! bxiong@mail.shcnc.ac.cn Xiong Bin Shanghai Institute of Materia Medica, C.A.S. phone:021-64311833-222(office)