-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Edmund Kump
Sent: Thursday, September 18, 2003 8:59 PM
To: pymol-users@lists.sourceforge.net
Subject: RE: [PyMOL] modifying atom coordinates
Yes, but what happens when, for example, I take a lysine
Yes, but what happens when, for example, I take a lysine residue, and
connect a glutamine residue? Shouldn't all the atoms have different
coordinates from when they are stand alone, based on the forces from
nearby atoms? Does pymol account for this as residues are added, or is
there a command or
Hi Edmund,
Actually, PyMOL uses a set of stored coordinates for fragments
and residues. They can be found in $PYMOL_PATH/data/chempy/fragments.
The files have .pkl extensions, which stands for pickled chempy model.
These files can be viewed directly in PyMOL, or can be introspected by
