From owner-biophys@hgmp.mrc.ac.uk Mon Jan 22 20:19:23 2001 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id 8922317AAA; Mon, 22 Jan 2001 20:19:20 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 6024) id 4718717A8F; Mon, 22 Jan 2001 20:19:13 +0000 (GMT) Received: from niobium.hgmp.mrc.ac.uk (niobium [193.62.192.41]) by mercury.hgmp.mrc.ac.uk (Postfix) with ESMTP id 51AE541690 for ; Mon, 22 Jan 2001 20:00:57 +0000 (GMT) Received: (from news@localhost) by niobium.hgmp.mrc.ac.uk (8.9.3+Sun/8.8.8) id UAA29282 for biophys-list@hgmp.mrc.ac.uk; Mon, 22 Jan 2001 20:00:56 GMT X-Authentication-Warning: niobium.hgmp.mrc.ac.uk: news set sender to using -f From: aam@MIT.EDU (Angelo Mondragon) X-Newsgroups: bionet.biophysics Subject: Need help generating strucural model from atomic coordinates Date: 22 Jan 2001 20:00:54 -0000 Organization: BIOSCI/MRC Human Genome Mapping Project Resource Centre Lines: 61 Message-ID: Mime-Version: 1.0 Content-Type: multipart/alternative; boundary="============_-1231932488==_ma============" X-Trace: niobium.hgmp.mrc.ac.uk 980193655 29280 193.62.192.80 (22 Jan 2001 20:00:55 GMT) X-Complaints-To: news@net.bio.net X-Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 6024) id ED95417A6E; Mon, 22 Jan 2001 20:00:48 +0000 (GMT) X-Received: from MIT.EDU (SOUTH-STATION-ANNEX.MIT.EDU [18.72.1.2]) by mercury.hgmp.mrc.ac.uk (Postfix) with SMTP id 6830F4166E for ; Mon, 22 Jan 2001 19:59:59 +0000 (GMT) X-Received: from GRAND-CENTRAL-STATION.MIT.EDU by MIT.EDU with SMTP id AA11624; Mon, 22 Jan 01 14:58:31 EST X-Received: from melbourne-city-street.MIT.EDU (MELBOURNE-CITY-STREET.MIT.EDU [18.69.0.45]) by grand-central-station.MIT.EDU (8.9.2/8.9.2) with ESMTP id OAA17254 for ; Mon, 22 Jan 2001 14:59:46 -0500 (EST) X-Received: from [18.155.0.91] (CCR-016.MIT.EDU [18.155.0.91]) by melbourne-city-street.MIT.EDU (8.9.3/8.9.2) with ESMTP id OAA15601 for ; Mon, 22 Jan 2001 14:59:41 -0500 (EST) X-Sender: aam@hesiod (Unverified) X-To: biophys@net.bio.net To: biophys@hgmp.mrc.ac.uk Sender: owner-biophys@hgmp.mrc.ac.uk Precedence: bulk --============_-1231932488==_ma============ Content-Type: text/plain; charset="us-ascii" I have a basic question that I hope someone can help me with. I am not a structural biologist but as a result of a collaboration I have a set of atomic coordinate data for a protein X-ray diffraction structure as a text list of ATOM records that look like this: ATOM 13 O PRO 22 33.496 19.282 44.876 1.00 54.35 A I would like to generate a structural model of this protein using the coordinates using the QUANTA software from Molecular Simulations Inc. but I have not been able to yet. Can anyone explain to me how to do this? I also have access to Insight II and Rasmol but I would prefer to use QUANTA to do this. Thanks for your consideration. Best Regards, Angelo Mondragon --============_-1231932488==_ma============ Content-Type: text/enriched; charset="us-ascii" TimesI have a basic question that I hope someone can help me with. I am not a structural biologist but as a result of a collaboration I have a set of atomic coordinate data for a protein X-ray diffraction structure as a text list of ATOM records that look like this: ATOM 13 O PRO 22 33.496 19.282 44.876 1.00 54.35 A I would like to generate a structural model of this protein using the coordinates using the QUANTA software from Molecular Simulations Inc. but I have not been able to yet. Can anyone explain to me how to do this? I also have access to Insight II and Rasmol but I would prefer to use QUANTA to do this. Thanks for your consideration. Best Regards, Angelo Mondragon --============_-1231932488==_ma============-- --- .