[PyMOL] pymol on OSX

2003-07-08 Thread John Holt
I've just started experimenting with Pymol on OS X. The "close, save, save as" items are greyed out in the file menu. Could someone explain this to me? Also, is Pymol capable of saving as vrml files or some other 3D format? John Holt John Holt Studio 25 Drydock Ave. Boston, MA 02210 617.42

[PyMOL] Thermal ellipsoids, anisotropic b-factors

2003-07-08 Thread Anthony Duff
Can pymol, or will it in the near future, work with anisotropic b-factors and display thermal ellipsoids? Alternatively, can pymol do anything with the output of rastep? Anthony -- Anthony Duff Postdoctoral Fellow School of M

RE: [PyMOL] Further functionality

2003-07-08 Thread Warren L. DeLano
> 1- calculation of surface potentials- will this be coming soon? Creation of a Possion-Boltzman solver is a bit of work, so this will not happen very soon -- probably not until we accumulate enough sponsorship to contract with someone to perform the task. But perhaps someone might volunteer to w

Re: [PyMOL] Further functionality

2003-07-08 Thread NICHOLAS FITZKEE
> 4- Is there any chance you will be able to > include non-continuous selections ie > select (resi 10-20,30-40) rather than just > 10-20 and ignore residues 30-40? > Jules, It's a little more cumbersome, but one way to do the above selection would be: select resi 10-20 or resi 30-40 sele

[PyMOL] Further functionality

2003-07-08 Thread Jules Jacobsen
Hi Warren, I was just wondering about a few features that pymol is currently lacking and if/when you were planning on implementing them. 1- calculation of surface potentials- will this be coming soon? 2- Are you thinking of including any kind of sequence viewer and sequence alignment tools to

[PyMOL] RE: (no subject)

2003-07-08 Thread Warren L. DeLano
> I just download PYMOL into my Linux and it's working very nicely but I > want to check > whether it is possible to move a pdb file within a 3D density map > independently to get a > best fitting. Yes, you can move the molecule, but not the map. First, get into editing mode: edit_mode (or se