Hi Bradley,
If you have one of the latest builds, you can use this approach:
http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg07754.html
Hope it helps.
Vitaly
- Original Message -
From: Bradley Hintze
Date: Tuesday, July 20, 2010 5:37 pm
Subject: [PyMOL] get
Hi Bradley,
print cmd.get_atom_coords("76/CA")
Cheers,
-- Jason
On Tue, Jul 20, 2010 at 5:39 PM, Bradley Hintze
wrote:
> Hi all,
>
> Is there an easy way to get coordinates of a given atom?
>
> e.g. 'get_coordinates /model//A/ALA`76/CA'
> for the CA coordinates of resi 76
>
> All the examples
Hi all,
Is there an easy way to get coordinates of a given atom?
e.g. 'get_coordinates /model//A/ALA`76/CA'
for the CA coordinates of resi 76
All the examples on the wiki use "iterate" to get the coordinates of a
selection. Is there a simple way to get one coordinate of a given
atom?
--
Bradle
Hi Horacio,
you can save as wrl (VRML) or povray (as posted earlier).
The former can be read by vtk (vtkVRMLImporter or so), from here you
have a rich set of sophisticated algorithms such as decimate.
google for vtkDecimate, vtkDecimatePro
There are bindings for a couple of languages, also Pyt
Hi Horacio,
No need to hack pymol for that... the mesh can be exported to povray
or vrml format. For instance try
open("pymol.mesh","w").write( cmd.get_povray()[1] )
You're in for some parsing to get the coordinates out.
Hope it helps,
Tsjerk
On Thu, Oct 2, 2008 at 3:16 PM, Horacio Sánchez
Hi,
looking to the mesh representation of a protein in pymol, I wonder what
could be the best/easiest method to get the cartesian coordinates of
some arbitrary number of the points of the mesh at more or less regular
(or arbitrary) intervals.
The only thing that I can think now of is to debu
