[PyMOL] pymol & apbs - "surface numbers"

2005-03-17 Thread Kristoffer Winther Sørensen
Douglas Kojetin asked the following question on February 9, 2005: >For example, the molecular surface "numbers" default to >-1, 0 and 1. If they are changed to -5, 0 and 5, the displayed surface >looks "less charged" than that displayed with the default numbers. >What do the numbers mean? I'm no

Re: [PyMOL] question about selecting multiple residues

2005-03-22 Thread Kristoffer Winther Sørensen
On Tue, 2005-03-22 at 14:09 -0500, Qun Wan wrote: > Hi, everyone: > If I want to select every cystein residues in my molecules, I think this works: select cysteins, resn Cys Kind Regards, ./ Kristoffer

RE: [PyMOL] Problem with pml script and png command

2005-03-30 Thread Kristoffer Winther Sørensen
Hi Grégori > I tried to exclude the "load" commands from my script, to pre-load the > structures, display them, be sure that no other windows were > overlapping the PyMol display window (I even placed the PyMol window > on another location on > my screen!), and it didn't change anything. I > also

Re: [PyMOL] surface representation showing mutations

2005-04-04 Thread Kristoffer Winther Sørensen
Hi Sarma, > I can change the color of the surface to gray or a rainbow gradient > using the options but can't find a way to specify the residues that need > to be colored differently in a surface representation. You most likely need to select the residues first. That will give you an extra entr

Re: [PyMOL] re: pymol/apbs vs grasp

2005-04-14 Thread Kristoffer Winther Sørensen
Hi Jack, > In all of the examples distributed with APBS, the pdie (solute dielectric) The pdie must be the protein dielectric constant though the comment for pdie in the pymol generated .in-file reads "# Solute dielectric" ... that is probably a mistake. The APBS-plugin says Protein Dielectric. T

Re: [PyMOL] multi cpu rendering

2005-04-20 Thread Kristoffer Winther Sørensen
Dear Serge, I suggest you simply make a test. > Indeed if you read the documentation of Python, you'll see that the > python byte-code interpreter is not able to run multiple thread at any > given time I don't think the PyMOL raytracer is written in Python. Furtermore, when I raytrace in PyMOL

Re: [PyMOL] returning image to PyMol viewer

2005-04-25 Thread Kristoffer Winther Sørensen
Dear Sebastien. > answer by just looking online. When I type commands which bring up > text in the viewer window how do i return the molecular image. Just press the key (escape). Be sure that the PyMOL viewer window (the one with the molecule) is focussed/selected prior to pressing escape (if no