RE: [PyMOL] labeling atoms in GUI

2003-11-01 Thread rbaxter
Thank Warren, that works great -RB Quoting "Warren L. DeLano" : > Richard, > > It's not GUI, but you could simply bind a function key such as F1 to > that command: > > cmd.set_key('F1',lambda :cmd.label("(lb)",'"%s %s > %s"%(name,resn,resi)')) > > You might then want to bind 'F2' to something

[PyMOL] PyMOL 0.93 Released

2003-11-01 Thread Warren L. DeLano
Well, juat a week after 0.92, I'm releasing version 0.93 in order to address various problems with v0.92. First, O/BRIX map reading really does work in 0.93, but note that your O maps need to be in platform-independent BRIX/DSN6 format, and not in the older platform-dependent DSN6 format. (I'll g

[PyMOL] Problems using chempy.tinker without numeric_type.

2003-11-01 Thread Truls A. Tangstad
I'm trying to programmatically load a PDB-file, using chempy.io.pdb, then run an energy minimization with tinker. The problem is that the tinker-wrapper stores files to the tinker xyz-format, which requires that the numeric_type or text_type attribute is set correctly. PDB.fromFile() doesn't seem t

RE: [PyMOL] a couple of newbie questions

2003-11-01 Thread Warren L. DeLano
> > Hello all. > I am relatively new to pymol, so please excuse me if > these questions > are too simple for the list as a whole. I am running 0.90 on a Linux > system by way of introduction. > > 1) What is the easiest way to select one molecule out of > several on the > screen and tra