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Groups > comp.lang.python > #85897

Re: can python handle CHIME .spt files (fwd)

From Laura Creighton <lac@openend.se>
Subject Re: can python handle CHIME .spt files (fwd)
Date 2015-02-19 12:18 +0100
Newsgroups comp.lang.python
Message-ID <mailman.18880.1424344740.18130.python-list@python.org> (permalink)

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So I asked Andrew about PyMol.  Here's what he said:

------- Forwarded Message

Return-Path: <dalke@dalkescientific.com>
From: Andrew Dalke <dalke@dalkescientific.com>
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/ConSCRIPT_17Jun10/
  https://ritdml.rit.edu/bitstream/handle/1850/9019/SMottarellaAbstract2008.pdf?sequence=8

and quoting from http://blondie.dowling.edu/docman/view.php/24/692/ACA_JUL09.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.html
says its works quite well.

I don't know how portable it is to the Chime commands.

Cheers,

				Andrew
				dalke@dalkescientific.com



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Re: can python handle CHIME .spt files (fwd) Laura Creighton <lac@openend.se> - 2015-02-19 12:18 +0100

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