[PyMOL] bond distance in pymol

2006-11-24 Thread shivesh kumar
Dear all, Is there anyway to calculate the bond distances in pymol and to show the bond distances also... thanx in advance S shivesh - Access over 1 million songs - Yahoo! Music Unlimited.

Re: [PyMOL] bond distance in pymol

2006-11-24 Thread Tsjerk Wassenaar
Shivesh, Well, what would you think of the command 'dist'? You could have read the manual... Tsjerk On 11/24/06, shivesh kumar shivesh_...@yahoo.com wrote: Dear all, Is there anyway to calculate the bond distances in pymol and to show the bond distances also... thanx in advance S shivesh

Re: [PyMOL] chempy documentation

2006-11-24 Thread Michael Banck
On Mon, Nov 20, 2006 at 10:27:48AM -0800, DeLano Scientific wrote: My preference would be for a fast, clean, back-end cheminformatics library with a simple C API that could be exposed to and interporate with Python, Java, C, C++, SQL, and .NET. Several proprietary examples of this design

[PyMOL] APBS and Pymol

2006-11-24 Thread Anastassis Perrakis
Hi - I installed apbs and tools (0.4.0) in a Linux box. I then specified the location of psize.py and apbs executable. when i load a protein and click on 'set grid' according to instructions I get on a new window a rather cryptic response: Error: 6 ValueError Exception in Tk callback

Re: [PyMOL] bond distance in pymol

2006-11-24 Thread Jurgen F. Doreleijers
Hi Shivesh, I like the interactive Wizard/Measurement from the top bar in the tcl/tk GUI. Works for angles and dihedrals too. Cheers, Jurgen 2006/11/24, shivesh kumar shivesh_...@yahoo.com: Dear all, Is there anyway to calculate the bond distances in pymol and to show the bond distances

Re: [PyMOL] PyMOL-users Digest, Vol 6, Issue 22

2006-11-24 Thread Raúl Mera
Hi Florian I have also been unable to use pdb2pqr within the plugin (I had similar problems althought I was only using standard residues), but what I did is to use pqr2pdb as stand-alone program and then feed the plugin with the previously generated pqr files. Hope it helps Raul Message: 2