Hi PyMOLers,
I was wondering if there is a way to load part of a PDB file if you know a
priori what you want thereby saving time/memory?
Currently, I have a system that is ~160,000 atoms (protein-DNA complex with
explicit water molecules taken from an MD simulation). When I load more than
10
Sean,
You can save some time & a lot of memory by loading the file and
removing the atoms in a single-line compound statement (with a semicolon
after the load statement).
load 1E3M.pdb; remove not A-C+F//
Cheers,
Warren
From: Sean Law [mailto:magic
I'm trying to examine electrostatics for an RNA molecule. I've
calculated an electrostatics map using Qnifft (which outputs the map as
a .phi file). I can read the .phi file into PyMol and color my
molecular surface using the map. What I'm hoping to do is
quantitatively determine the pot
is it possible to put a link to these archives in the signature portion of the
mailing list? I would find that very helpful.
-David
- Original Message
> From: Warren DeLano
> To: pymol-users
> Sent: Tuesday, April 28, 2009 11:52:28 PM
> Subject: [PyMOL] The List Archive is Back!
>
Hmm... let's see if this works!
> -Original Message-
> From: David Hall [mailto:dwash59_2...@yahoo.com]
> Sent: Tuesday, May 26, 2009 3:07 PM
> To: Warren DeLano; pymol-users
> Subject: Re: [PyMOL] The List Archive is Back!
>
>
> is it possible to put a link to these archives in the sign
Dear users
How can I obtain the surface of a ligand in protein pdb file.
I just need the simple surface, i doesn't need in this case, the
electrostatic surface.
Thanks
--
CHAIX Denis
PHD student
Centre de Biochimie Structurale
INSERM U554/CNRS 5048
29 rue de Navacelles
F-34090
set surface_mode, 1
Cheers,
Warren
> -Original Message-
> From: chaix denis [mailto:ch...@cbs.cnrs.fr]
> Sent: Tuesday, May 26, 2009 3:55 PM
> To: pymol-users@lists.sourceforge.net
> Cc: Chaix Denis; support; pymol-users@lists.sourceforge.net
> Subject: [PyMOL] surface of ligand
>
> Dear
