[PyMOL] How to save APBS-generated maps

2011-04-01 Thread Cale Dakwar
Hello all, Is there a quick way to save an APBS PyMol Plugin generated map from within pymol? Thanks in advance, Cale -- Create and publish websites with WebMatrix Use the most popular FREE web apps or write code yourself

Re: [PyMOL] How to save APBS-generated maps

2011-04-01 Thread Michael Lerner
Hi Cale, After you run the APBS calculation, you will find the relevant files stored in a temporary directory. The default location of that directory depends on your operating system and system configuration, but you can set it explicitly in the Plugin's "Temp File Locations" tab. The name of the

Re: [PyMOL] How to save APBS-generated maps

2011-04-01 Thread Cale Dakwar
Thanks! Found it in my home directory when using PyMOLX11Hybrid.app. Cheers, Cale On Fri, Apr 1, 2011 at 1:17 PM, Michael Lerner wrote: > Hi Cale, > > After you run the APBS calculation, you will find the relevant files stored > in a temporary directory. The default location of that director

Re: [PyMOL] Center of Mass

2011-04-01 Thread Sean Law
Cunliang, There is a script available on the PyMOL-Wiki that calculates either the center-of-mass OR the center-of-geometry. Please see http://www.pymolwiki.org/index.php/Center_Of_Mass It uses the "pseudoatom" function to generate a sphere at the desired center of mass. Hope this answers yo

[PyMOL] PyMOL Project Updates & Open Source PyMOL v1.4b1

2011-04-01 Thread Jason Vertrees
Greetings PyMOLers, I got back from my trip last night and immediately started putting the new features into the open source branch as promised. I've finished the merge, pushed the changes to SourceForge (revision 3938), and uploaded a tar file (https://sourceforge.net/projects/pymol/files/pymol/

Re: [PyMOL] PyMOL Project Updates & Open Source PyMOL v1.4b1

2011-04-01 Thread Christoph Gohlke
On 4/1/2011 2:34 PM, Jason Vertrees wrote: Greetings PyMOLers, I got back from my trip last night and immediately started putting the new features into the open source branch as promised. I've finished the merge, pushed the changes to SourceForge (revision 3938), and uploaded a tar file (http

Re: [PyMOL] PyMOL Project Updates & Open Source PyMOL v1.4b1

2011-04-01 Thread Paul Rigor
Thanks for the update, looking forward to testing the new release. Paul -- Paul Rigor http://www.ics.uci.edu/~prigor On Fri, Apr 1, 2011 at 6:16 PM, Christoph Gohlke wrote: > > > On 4/1/2011 2:34 PM, Jason Vertrees wrote: > >> Greetings PyMOLers, >> >> I got back from my trip last night and