Re: [PyMOL] Electrostatic potential surface

2013-04-01 Thread James Starlight
an xplor file which seems to work but I have > >> to adjust the position and scale to let it > >> overlay the ion positions that I read from an xyz file. > >> > >> AFAICT xplor is about the only easy format that pymol takes > >> but I was debating about trying to f

Re: [PyMOL] Electrostatic potential surface

2013-03-27 Thread James Starlight
pped it. >> The xplor approch seems to work well enough for now. >> >> >> Is there an easier way? >> Thanks. >> >> >> >>> Date: Wed, 27 Mar 2013 13:41:24 +0400 >>> From: jmsstarli...@gmail.c

Re: [PyMOL] Electrostatic potential surface

2013-03-27 Thread James Starlight
rk well enough for now. > > > Is there an easier way? > Thanks. > > > >> Date: Wed, 27 Mar 2013 13:41:24 +0400 >> From: jmsstarli...@gmail.com >> To: pymol-users@lists.sourceforge.net >> Subject: [PyMOL] Electr

Re: [PyMOL] Electrostatic potential surface

2013-03-27 Thread Mike Marchywka
now. Is there an easier way? Thanks. > Date: Wed, 27 Mar 2013 13:41:24 +0400 > From: jmsstarli...@gmail.com > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Electrostatic potential surface > > Dear PyMol users! > > &

[PyMOL] Electrostatic potential surface

2013-03-27 Thread James Starlight
Dear PyMol users! I wounder to know about built-in PyMol option for electrostatic potential visualisation. For example I have pdb coordinates of my protein as well as its electrostatic potential distribution (calculated by another software). Using MolMol with both of that files I can visualize t

[PyMOL] electrostatic potential surface for small molecule?

2012-10-22 Thread Jonas Boström
> > Is it possible to generate electrostatic potential surfaces for small > molecules (i.e. only for ligand, in the absence of a protein) with PyMol? -- Everyone hates slow websites. So do we. Make your web apps faster with

RE: [PyMOL] Electrostatic potential surface?

2002-01-27 Thread DeLano, Warren
> From: Eric C. Peterson [mailto:ecpe...@uark.edu] > I am putting some figures together for an upcoming manuscript > and am trying > to figure out a few details. Some of the things I want to do may be > possible, some not. Here are the questions I have: > > 1. How do you display electrostatic

[PyMOL] Electrostatic potential surface?

2002-01-25 Thread Eric C. Peterson
First of all, I am quite impressed with this program, free or not. I also saw Dr. Wells speak at the Keystone conference in Breckenridge in January where he presented some graphics using Rigimol. Very nice. I am putting some figures together for an upcoming manuscript and am trying to figure out