Carlos, David, etc.,
>From the open-source code:
http://pymol.svn.sourceforge.net/viewvc/pymol/trunk/pymol/layer4/Cmd.c
The returned rms values are as follows (in order):
return Py_BuildValue("(fiififi)",
rms_info.final_rms,
rms_info.final_n_atom,
rms_info.n_cycles_run,
rms_info.initial_rms,
rms_info.initial_n_atom,
rms_info.raw_alignment_score,
rms_info.n_residues_aligned);
Cheers,
Warren
________________________________________
From: Carlos Ríos Vera [mailto:crosv...@gmail.com]
Sent: Saturday, August 29, 2009 4:08 PM
To: David Hall
Cc: Warren DeLano; pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] RMS
2009/8/29 David Hall <dwash59_2...@yahoo.com>
pymol.cmd.align("%s" % name_struct1, "%s" % name_struct2)
oh, thanks =)
should return a list, the first element of which is the rms, if I remember
correctly.
Warren can probably say what the rest of the elements are.
On this note, maybe we could start documenting on the wiki what exactly all
these commands return. It would be very useful for scripting.
Yeah, it would be great get that information.
-David
--
http://crosvera.blogspot.com
Carlos Ríos V.
Estudiante de Ing. (E) en Computación e Informática.
Universidad del Bío-Bío
VIII Región, Chile
Linux user number 425502
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