Thanks, that is what I was looking for! I just made a simple
script out of it which looks like this
#!/usr/bin/env python
import pymol
from pymol import cmd
import mymodule
pymol.finish_launching()
cmd.load(mymolecule.xyz)
cmd.hide()
cmd.show(spheres)
mymodule.dosomething()
I've noticed
Dear John
2011/2/17 John Russo lamaro...@gmail.com:
Hi,
I'm sorry for making such beginner's questions but searching the manual,
google
or the wiki didn't help me.
You're welcome to ask here.
I know how to extend pymol by writing python functions (through the
extend command).
But is it
Hi John, Folmer,
First, in reply to Folmer's comment, it did cross my mind whether it
was necessary to call Pymol from a script, rather than the reverse.
But John gave an example with the file to load as command line
argument (./examply.py mymolecule.xyz). If the filename is required
internally
No idea if this will fix your problem, but what I've found is portable
across binaries from Delano Scientific/Schroedinger and
OS/self-compiled versions of pymol is to instead run:
pymol -r examply.py -- mymolecule.xyz
(or if I'm making pngs, usually pymol -qrck examply.py -- mymolecule.xyz )
I'm sorry to bother this mailing list so much but it
seems that I cannot save images.
This is the script examply.py
from pymol import cmd
cmd.load(sys.argv[1])
cmd.hide()
cmd.show(spheres)
cmd.set('sphere_scale',0.3)
cmd.set('orthoscopic',1)
Hi John,
It's what we're here for. If we care not to be bothered, we can unsubscribe.
Anyway, you have to raytrace the image if you don't have an OpenGL
window. Add cmd.ray(xresolution,yresolution) before, or add it to the
cmd.png command directly.
Cheers,
Tsjerk
On Fri, Feb 18, 2011 at 8:46
