Dmitriy,
This is easily solved:
PyMOL expects be imported at the global level as __main__.pymol, but you
can spoof it by adding "__main__.pymol = pymol" as follows:
def funct():
import __main__
__main__.pymol_argv = [ 'pymol', '-qx' ]
import pymol
__main__.pymol = pymol
pymol.fini
On Mon, Oct 24, 2005 at 10:18:40AM -0500, Kristl Adams wrote:
> I have several txt files of coordinates (mostly heme type compounds)
> that I'd like to format correctly for pymol to be able to read. I've
> tried several things looking at PDBs with hemes, but can't figure it out.
>
> Will someon
Gilleain Torrance wrote:
Hi,
I don't see how you can get rid of this loop actually.
The thing that occurs to me is that you are loading structures, but
not deleting them!
So, at the other end of the "for i in KeepStruc" loop, you should
have a "cmd.delete(i)".
Other than that, you don'
Hi,
Using the callbacks on the newest macpymol on tiger doesn't work:
run /Applications/MacPyMOL.app/pymol/examples/devel/gl01.py
Traceback (most recent call last):
File "/Users/delwarl/MacPyMOL/build/MacPyMOL.app/pymol/modules/
pymol/parser.py", line 273, in parse
File "/Users/delwarl/Mac
Hi,
I don't see how you can get rid of this loop actually.
The thing that occurs to me is that you are loading structures, but
not deleting them!
So, at the other end of the "for i in KeepStruc" loop, you should
have a "cmd.delete(i)".
Other than that, you don't need to be opening the fi
Hi again, reading my post I found the bottleneckshame on me :)
here it is:
...
if (atomlig == "*"):
ligand = cmd.select("ligand","segi B and "+i)
atoms_lig = cmd.get_model('ligand')
for atomsL in atoms_lig.atom:
t = cmd.select("t","name "+at
Jules Jacobsen wrote:
Hi Andrea,
It depends on how you've written it It does sound more than a
little slow if you are just selecting a single residue. I had a script
which ended up looping through several sets of atoms which took ages
for larger models. I finally got fed-up with this and
Hi all,
is it normal that a script in pymol runs very very slow. In my case I am
just selecting a residue of a protein and calculating the distance from
the ligand atoms. I am doing this in a loop over 100 molecule. It took
ca. 6 hours...!
My memory is 50% free (1Gb total). I am using this scri
Le Mardi 25 Octobre 2005 08:15, Tjaart de Beer a écrit :
> Hi
>
> We are looking at possibly writing some plugins to extend the
> functionality of PyMOL. How would we go about this? Is there some
> documentation on the general process?
>
> Any help would be greatly appreciated!!
Hi,
Here is a use
