[PyMOL] Copy a selection for a new molecule?

2006-12-14 Thread Esben Jannik Bjerrum
Hi All in one of my scripts I have a problem with getting a selection for a new molecule which is created from a copy of another which also have a selection. In the first one a selection is made of the user, but after creating a new molecule from the whole of the old, I cannot use the old

Re: [PyMOL] installation trouble

2006-12-14 Thread Joris Beld
Dear all, We installed yesterday six brand new Dell PCs with winXPpro/SP2 (fully updated) and encounter exactly the same error (and also...the solutions in the pymol wiki didn't help us so far). Anyone a solution? Thanks in advance. Best, Joris Beld Hilvert Group, ETH Zürich Angelo D Favia wrote:

Re: [PyMOL] installation trouble

2006-12-14 Thread DeLano Scientific
Joris, Some Dell systems are uniquely afflicted -- according to another Dell XP/SP2 owner: I found the solution, apparently the installer gets screwed up by some software that Dell installs as part of their standard build. The fix can be found at:

Re: [PyMOL] Copy a selection for a new molecule?

2006-12-14 Thread DeLano Scientific
Esben, load molA.pdb select selA, resi 100-200 create molAcpy, molA select selAcpy, selA in molAcpy Note that this will only work if the atom identifiers: name, resi, resn, segi, chain are all unique. The in operator does not distinguish based on the alt (alternate conformer) property, so all

Re: [PyMOL] installation trouble

2006-12-14 Thread Angelo Favia
I've got a Dell D820. I tried but it didn't fix my problem... I went for the soft solution first (partial removal of the guilty software) and for the hard one (total removal) then. The same error appears...as nothing changed. A. DeLano Scientific wrote: Joris, Some Dell systems are

Re: [PyMOL] Coloring structure by hydrophobicity

2006-12-14 Thread Andreas Henschel
Hi Andrew, regarding hydrophobicity coloring, we use the rTools from Kristian Rother. http://www.rubor.de/bioinf/pymol_extensions.html The coloring schemes are according to http://www.expasy.org/cgi-bin/protscale.pl It comes with a nice user interface, or on command prompt you would simply do

[PyMOL] Why does the sculpting feature not work?

2006-12-14 Thread Matt Wagner
Hi, I constructed a model (.pdb format) and attempted to eliminated some of the excessive contortions in the loop when opened in PYMOL. I was using Auto-sculpting to eliminate these contortions. All looked great, but when I saved my work to a .pdb file and opened it back up, it contained