Re: [PyMOL] getting Residue environment distances and residue-residue distances programatically

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 imp

Re: [PyMOL] getting Residue environment distances and residue-residue distances programatically

Thanks a tonne David and Nathaniel, The script in that post is 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

Re: [PyMOL] getting Residue environment distances and residue-residue distances programatically

On Tue, Mar 23, 2010 at 12:48 PM, hari jayaram 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 > select r 22 ,

Re: [PyMOL] getting Residue environment distances and residue-residue distances programatically

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 wrote: > Hi > I want to write a python/pymol

[PyMOL] getting Residue environment distances and residue-residue distances programatically

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 o