[PyMOL] problems with apbs/pqr

2009-08-05 Thread James Whittle
Hi all, My apologies if this has been covered by this list before, but I couldn't find mention of it: I'm trying to calculate an electrostatic surface for my protein. The APBS Tools plug-in crashes with the message: WARNING: 502 atoms did not have formal charges assigned WARNING: 1051 atoms

Re: [PyMOL] problems with apbs/pqr

2009-08-05 Thread James Whittle
of amino acid side chains, ligands, or other unrecognized groups which cannot be processed for APBS. Cheers, Warren -Original Message- From: James Whittle [mailto:whit...@mit.edu] Sent: Wed 8/5/2009 5:01 AM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] problems with apbs/pqr H