Hi
I want to write a python/pymol script that will give me residue -residue
distances within a pdb file programmatically
I know that within pymol I can get a distance object using
select r55 , chain A and resi 55
select r 22 , chain A and resi 22
distance (r55) ,(r22)
This creates the dist01
PyMol doesn't provide programmatic access to actual bond objects.
Instead, you have to do what was suggested 5 days ago:
http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg07745.html
-David
On Tue, Mar 23, 2010 at 3:48 PM, hari jayaram hari...@gmail.com wrote:
Hi
I want to write
On Tue, Mar 23, 2010 at 12:48 PM, hari jayaram hari...@gmail.com wrote:
Hi
I want to write a python/pymol script that will give me residue -residue
distances within a pdb file programmatically
I know that within pymol I can get a distance object using
select r55 , chain A and resi 55
Thanks a tonne David and Nathaniel,
The script in that post
http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg07745.htmlis
exactly what I was looking for.
I may also give cctbx.python a try , If I remember right phenix, cns and
xplor use a similar kind of selection syntax which as
Hari,
I want to write a python/pymol script that will give me residue -residue
distances within a pdb file programmatically
In PyMOL, this is easy to program. Here's a small script to give you
all pairwise distances of the atoms in residue 30 of chain A of 1hpv:
import pymol
from pymol