Jerome,
Generally speaking, PyMOL doesnt read any GAMESS formats,
although there is some code in the chempy modules which at one time
could submit and retrieve output from a few simple GAMESS-US
calculations. My advice would be to find another tool better suited for
Quantum chemistry applications. But if you still want to use PyMOL,
then you'll need to convert your files into something like .mol or
.pdb...
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
> -----Original Message-----
> From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
> ad...@lists.sourceforge.net] On Behalf Of Jerome Levesque
> Sent: Friday, December 05, 2003 8:37 AM
> To: pymol-users@lists.sourceforge.net
> Subject: [PyMOL] Unable to read Gamess-US output
>
> Hello,
>
> I am using GAMESS-US (not PC-GAMESS) on Linux to model very small
> molecules. When I try to load a GAMESS ".dat" file into PyMOL, it does
> not complain at all, but does not show anything either. There isn't
even
> a new object appearing in the right part of the PyMOL visualization
> window.
>
> I find this behaviour somewhat strange, since it seems to be specific
to
> my .dat files and do not even occur when I try to load silly files,
such
> as jpegs for example. Even in such silly cases, a new object will
> appears in the list (but not for my GAMESS ".dat" files!)
>
> Thanks in advance for any help,
>
> Jérôme Levesque
>
> --
> Jérôme Levesque, Ph.D. student
>
> Femtosecond Research Program
> National Research Council
> 100 Sussex drive, room 2044
> Ottawa, ON
> K1A 0R6
> Canada
>
> tel.: 613-998-9468
> fax.: 613-991-3437
>
>
>
>
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