From chemistry-request- at -server.ccl.net Fri Dec 20 11:02:15 2002
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Date: Fri, 20 Dec 2002 08:02:11 -0800 (PST)
From: "Warren L. DeLano" <warren ":at:" sunesis.com>
To: FyD <fyd ^%at%^ u-picardie.fr>
cc: <chemistry -8 at 8- ccl.net>
Subject: Re: CCL:Looking for a program
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Francois, try PYMOL!

http://pymol.sf.net

1) runs under linux, irix, windows, osx

2) command mode available with "pymol -c"

3i) reads and writes PDB, SDF, MOL, etc.

3ii) transformation can be done with mouse or explicit "translate",
"rotate" commands as well as a combined sequence/structure alignment
"align" command.

3iii) "save filename.pdb" will store your new coordinates

4) PyMOL is free, modifiable, and redistributable in modified form.

I (the author) do make periodic requests for funding to support
ongoing development, but such funding remains optional.  Before too long,
I'll be rewarding such support with a feature-enhanced version.

Cheers,
Warren

On Fri, 20 Dec 2002, FyD wrote:

> Dear All,
>
> I am looking for a program that:
> 1- Would work under UNIX (in particular Linux & Irix),
> 2- Could be ran using scripts i.e. in a non-graphical way,
> 3- Would allow to (i) load a structure, (ii) modify/control its orientation
> (axis x, y, and z), and (iii) save the new Cartesian coordinate set defined by
> the new orientation, and if possible
> 4- would be freely distributed for all users...
>
> Thanks, Regards, Francois