Path: csiph.com!usenet.pasdenom.info!gegeweb.org!usenet-fr.net!nerim.net!novso.com!newsfeed.xs4all.nl!newsfeed3a.news.xs4all.nl!xs4all!newsgate.cistron.nl!newsgate.news.xs4all.nl!post.news.xs4all.nl!not-for-mail Return-Path: X-Original-To: python-list@python.org Delivered-To: python-list@mail.python.org X-Spam-Status: OK 0.013 X-Spam-Evidence: '*H*': 0.97; '*S*': 0.00; 'python,': 0.02; 'url:sourceforge': 0.03; 'laura': 0.07; 'chime': 0.09; 'creighton': 0.09; 'image,': 0.09; 'subject:files': 0.09; '-------': 0.16; 'added.': 0.16; 'in-reply-to:': 0.16; 'portable': 0.16; 'received:openend.se': 0.16; 'received:theraft.openend.se': 0.16; 'supported.': 0.16; 'subject:python': 0.16; 'wrote:': 0.18; 'discussion': 0.18; 'thu,': 0.19; 'url:view': 0.20; 'feb': 0.22; 'cc:2**1': 0.23; 'commands,': 0.24; 'subject: .': 0.24; 'cheers,': 0.24; 'cc:no real name:2**0': 0.24; 'url:edu': 0.26; 'to:2**1': 0.27; 'am,': 0.29; 'to:no real name:2**1': 0.29; 'andrew': 0.30; 'moved': 0.30; 'asked': 0.31; 'included': 0.31; 'lines': 0.31; 'coded': 0.31; 'dated': 0.31; 'know.': 0.32; 'quite': 0.32; 'says': 0.33; 'date:': 0.34; 'knowledge': 0.35; 'subject: (': 0.35; 'version': 0.36; '+0100': 0.36; 'charset:us-ascii': 0.36; 'possible': 0.36; 'url:org': 0.36; 'to:addr:python-list': 0.38; 'rather': 0.38; 'anything': 0.39; 'forwarded': 0.39; 'subject:can': 0.39; 'to:addr:python.org': 0.39; 'how': 0.40; 'commands': 0.60; 'return-path:': 0.60; 'most': 0.60; 'header :Message-Id:1': 0.63; 'field': 0.63; 'here': 0.66; 'latest': 0.67; 'url:0': 0.67; 'url:pdf': 0.68; 'said:': 0.68; 'url:mail-archive': 0.68; '2015': 0.84; 'commands.': 0.84; 'subject:handle': 0.84; 'received:89': 0.85; 'url:php': 0.85 To: python-list@python.org, JKZMM@clemson.edu From: Laura Creighton Subject: Re: can python handle CHIME .spt files (fwd) MIME-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Content-ID: <10484.1424344718.1@fido> Content-Transfer-Encoding: quoted-printable Date: Thu, 19 Feb 2015 12:18:38 +0100 Cc: lac@openend.se X-BeenThere: python-list@python.org X-Mailman-Version: 2.1.15 Precedence: list List-Id: General discussion list for the Python programming language List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Newsgroups: comp.lang.python Message-ID: Lines: 51 NNTP-Posting-Host: 2001:888:2000:d::a6 X-Trace: 1424344740 news.xs4all.nl 2883 [2001:888:2000:d::a6]:41355 X-Complaints-To: abuse@xs4all.nl Xref: csiph.com comp.lang.python:85897 So I asked Andrew about PyMol. Here's what he said: ------- Forwarded Message Return-Path: From: Andrew Dalke In-Reply-To: <201502190705.t1J75wx7024389@fido.openend.se> Date: Thu, 19 Feb 2015 10:55:09 +0100 Message-Id: <47EC31CE-33AC-4426-A874-FF4107F0C9A3@dalkescientific.com> On Feb 19, 2015, at 8:05 AM, Laura Creighton wrote: > Now discussion has moved to = > http://www.pymol.org/ > = > Do you know if that will do the job? Or anything else about it? I do not know. My knowledge of that field is rather dated now. The best I can find in a quick search is a RasMol -> PyMol converter in 2,600 lines of Python, at http://sourceforge.net/projects/sbevsl/files/ConSCRIPT/ConSCRIPT-1.0/Con= SCRIPT_17Jun10/ https://ritdml.rit.edu/bitstream/handle/1850/9019/SMottarellaAbstract200= 8.pdf?sequence=3D8 and quoting from http://blondie.dowling.edu/docman/view.php/24/692/ACA_JUL= 09.ppt The latest version of ConSCRIPT has coded for almost all of the commands possible in RasMol. While support for some remains minimal, included some that only return incompatibility errors, most commands, including most of those that directly manipulate the image, are supported. Here are some of the commands that have recently been added. I have no experience with it. The review at https://www.mail-archive.com/jmol-users@lists.sourceforge.net/msg16583.h= tml says its works quite well. I don't know how portable it is to the Chime commands. Cheers, Andrew dalke@dalkescientific.com ------- End of Forwarded Message