Re: [PyMOL] using pymol from python script

[Tsjerk W. <ts...@gm...>]

Hi John,

Is this what you're looking for?:

http://www.pymolwiki.org/index.php/Launching_From_a_Script

Cheers,

Tsjerk

On Thu, Feb 17, 2011 at 8:19 AM, John Russo <lam...@gm...> wrote:
> Hi,
> I'm sorry for making such beginner's questions but searching the manual,
> google
> or the wiki didn't help me.
>
> I know how to extend pymol by writing python functions (through the
> extend command).
> But is it possible to do the opposite? I want to write a script that
> loads a molecule, does something
> to it and then displays the pymol window or outputs a png file. I want
> to this without having to
> enter commands in the pymol command line, since I need to put these
> operations in a script,
> without interactive control on pymol.
>
> Example. I want to write a script examply.py with which I can do
>
> ./examply.py mymolecule.xyz
>
> And for output I want to get mymolecule.png or the pymol window with all
> the operations
> already done.
>
> Any hints? Thank you.
>
>
>   John
>
>
>
> ------------------------------------------------------------------------------
> The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE:
> Pinpoint memory and threading errors before they happen.
> Find and fix more than 250 security defects in the development cycle.
> Locate bottlenecks in serial and parallel code that limit performance.
> http://p.sf.net/sfu/intel-dev2devfeb
> _______________________________________________
> PyMOL-users mailing list (PyM...@li...)
> Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
> Archives: http://www.mail-archive.com/pym...@li...
>



-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands