Shu-hsien
Sure, instead of cmd.select, use
cmd.do("select ligand, resn XYZ")
cmd.do("select protein, ! ligand ")
etc.
./pymol -qc select_box.py
Is the command line mode of PyMOL. "pymol -qc" can be used like
"python" in most cases.
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 Shu-Hsien Sheu
> Sent: Saturday, November 08, 2003 10:58 AM
> To: pymol-users@lists.sourceforge.net
> Subject: [PyMOL] Accessing PyMol's commands from outside (or without
> viewer)
>
> Hi,
>
> This should be a trial question though I cannot find a way of doing
it.
> I have a simple script that looks like this:
> (the original commands, rather than cmd.select......)
> select ligand, resn XYZ
> select protein, ! ligand
> select box, protein within 8 of ligand
> select box, box or byres box
> save box as box.pdb
>
> I don't need the viewer at all and would be even more efficient if I
can
> call the PyMol API from the shell. Or, in a python script.
> For example, I would like to have something like:
> ./pymol select_box.py
>
> thanks!
>
>
>
> -------------------------------------------------------
> This SF.net email is sponsored by: SF.net Giveback Program.
> SourceForge.net hosts over 70,000 Open Source Projects.
> See the people who have HELPED US provide better services:
> Click here: http://sourceforge.net/supporters.php
> _______________________________________________
> PyMOL-users mailing list
> PyMOL-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/pymol-users
