Re: [PyMOL] Showing electric field lines

2010-02-15 Thread Alan
Dear Michael, I am using Pymol 1.2r3pre and APBS 1.2, all installed via FINK in my Mac (10.6.2). I start pymol, build a TRP, call apbs plugin, set grid, run apbs and I can see surface and all, but when trying your commands below, pymol-generated doesn't exist for me. Either I am doing something

Re: [PyMOL] Showing electric field lines

2010-02-15 Thread Andreas Förster
Alan, my advice is to see if a dx file by another name has been created and, if so, use that to visualize the field lines. The full story is below, and might be more interesting to the developers of the apbs plugins. I'm using PyMOL 1.2r3pre and APBS 1.2 with openmpi installed via FINK on

Re: [PyMOL] PyMOL-users Digest, Vol 45, Issue 5

2010-02-15 Thread Nathaniel Echols
On Sun, Feb 14, 2010 at 4:39 PM, David Hall li...@cowsandmilk.net wrote: I don't think DynoPlot can't do this. Are there even callbacks to watch for things like changing state in the Pymol GUI? Maybe that should be a feature request as it would allow for a lot more powerful plugins.

Re: [PyMOL] New Feature Ideas

2010-02-15 Thread Sean Law
Hi all, Being a user of Adobe products, I am use to having a very customizable working environment so that you could easily improve overall workflow and decrease fumbling time. I find myself wanting my productivity to increase when using PyMOL. While I do input a lot of my commands by hand,

[PyMOL] Use of PyMOL for inspection and saving of docking results from Autodock

2010-02-15 Thread Marko S
Hello, I'm quite a novice user of PyMOL but I am already impressed at the speed and beauty of the rendering. But I have some questions regarding it's use for viewing results of Autodock. So I normally proceed as follows, i open the PDB molecule say fetch BLABLA and i get the pdb file...Then i

Re: [PyMOL] Use of PyMOL for inspection and saving of docking results from Autodock

2010-02-15 Thread Daniel Seeliger
Hi Msev, if you download the latest version you'll find what you're looking for. On the Score/Rank-page you can export docking scores and also docking poses in pdb format. If you save a list containing different ligands it might indeed look weired when you reload the file into pymol since

[PyMOL] Compilation issues on Win32 vs2008

2010-02-15 Thread aaron bryden
We are attempting to compile pymol on windows so that it is compiled against the version of python that we use in all of our other software (due to our IT situation this would make our plugin development substantially easier). Our version of python is 2.6. We are using the distutils method where

[PyMOL] H bond in double-strand DNA

2010-02-15 Thread yu zhang
Hi everyone, Could some explain for me why there are just two hydrogen bonds in G-C base pair and one hydrogen bond in A-T base pair in my Pymol? The existing ones are (N-HO) and the missing one is (N-H.H). Thanks

Re: [PyMOL] Compilation issues on Win32 vs2008

2010-02-15 Thread Christoph Gohlke
Take a look at the patch at http://sourceforge.net/tracker/?func=detailaid=2819455group_id=4546atid=104546, especially the last part. Another recommendation: Use freeglut 2.6.0 rc1, not glut. Christoph Gohlke Laboratory for Fluorescence Dynamics University of California, Irvine

Re: [PyMOL] PyMOLHybridX11 and APBS plugin

2010-02-15 Thread Jason Vertrees
Song, This is a naming error that occurs among different distributions. It should be fixed in the next release. If you need more details ping Michael Lerner or http://pymolwiki.org/index.php/APBS. -- Jason On Mon, Feb 15, 2010 at 8:12 PM, Song Tan sx...@psu.edu wrote: I'm trying to use the