Re: [PyMOL] adjust surface?

2003-12-17 Thread Scott Classen
Hi Ann, you can set the radius of the water probe used to construct the surface by setting solvent_radius to something smaller than 1.4. You can either look in the pulldown menus for the settings panel to adjust the value in a GUI or type: set solvent_radius, 1.2in the text window.

Re: [PyMOL] assign secondary structure?

2003-12-17 Thread Robert Campbell
* Michael Bovee mbo...@uvm.edu [2003-12-16 14:27] wrote: Hmm. When I try this I get a syntax error: __ PyMOLload EcHRSade.pdb Executive: object EcHRSade created. PyMOLhide PyMOLshow cartoon PyMOLdss EcHRSade Traceback (most recent call

RE: [PyMOL] Trying to plug APBS into PyMOL for electrostatics (almost working)

2003-12-17 Thread Michael George Lerner
Hi again, I've gotten the code much closer to working. Also, I think it's factored well enough that most of it should be non-GPL-contaminated. After I actually get it working completely, I'll email the APBS folks to see if they care about licensing issues. Right now, I can generate isomeshes

Re: [PyMOL] Trying to plug APBS into PyMOL for electrostatics (almost working)

2003-12-17 Thread Michael Banck
On Wed, Dec 17, 2003 at 06:00:44PM -0500, Michael George Lerner wrote: I've gotten the code much closer to working. Also, I think it's factored well enough that most of it should be non-GPL-contaminated. After I actually get it working completely, I'll email the APBS folks to see if they

Re: [PyMOL] Trying to plug APBS into PyMOL for electrostatics (almost working)

2003-12-17 Thread Michael Banck
On Thu, Dec 18, 2003 at 12:26:48AM +0100, Michael Banck wrote: On Wed, Dec 17, 2003 at 06:00:44PM -0500, Michael George Lerner wrote: I've gotten the code much closer to working. Also, I think it's factored well enough that most of it should be non-GPL-contaminated. After I actually get

Re: [PyMOL] Trying to plug APBS into PyMOL for electrostatics (almost working)

2003-12-17 Thread Michael George Lerner
What's the problem? Both PyMOL and APBS are licensed under the GPL so I see no problems there. Well, pymol isn't obviously. Note to self: Don't post about licensing stuff after an evening of mulled wine. I've had an evening of nice port .. we'll see how a port-influenced evening compares