RE: [PyMOL] modifying atom coordinates

2003-09-19 Thread Warren L. DeLano
Edmund, No, this kind of technical information isn't documented... If I recall correctly, when PyMOL hooks fragments together, it replaces hydrogen with a bond along the existing vectors. In other words, one fragment is translated so as to fit onto another. Peptides are

RE: [PyMOL] bug in rpm?

2003-09-19 Thread Warren L. DeLano
Nat, Are you running stock RedHat 9.0? The threading library in RH90 is broke. You may need to apply the glibc patches released by RedHat in order to get a stable system. Warren -- mailto:war...@delanoscientific.com Warren L. DeLano, Ph.D. Principal Scientist DeLano Scientific LLC Voice (650)

RE: [PyMOL] getting color of a residue + selecting non-natural residues

2003-09-19 Thread Warren L. DeLano
Tina, > I have two operations that I want to perform, and am not aware of a simple > way > (if possible) of doing them. So here it goes: > > 1. how (if possible) to retrieve the color for a residue as identified in > an > expression, e.g. "resi 9"? Note that it's not a range so no multiple > answ

[PyMOL] bug in rpm?

2003-09-19 Thread Nat Echols
I just got a shiny new Gateway laptop - essentially a ripoff of the 15" Apple (but cheaper), with NVidia chipset. I installed RedHat 9.0, NVidia drivers, and the PyMOL rpm for rh9, but I get segfaults when I try to run 'pymol'. The tar.gz file works perfectly, so it's not a problem for me, but I