[PyMOL] L-D amino acid conversion using pymol

2004-05-10 Thread Heinz-Uwe Hobohm
Gents, I want to try to visualize a retro-enantio Conotoxin peptide (reverse sequence, all D-amino acids, sculpting) and visually compare surface charge to its normal L-amino acid counterpart using Pymol. I use Pymol 0.93 (fink compiled) on a Powerbook G4/667 with three-button mouse.

[PyMOL] sorry for posting multiple times...

2004-05-10 Thread Heinz-Uwe Hobohm
...Mac-mail did not propagate the message from out-folder to sent-folder for unknown reasons. Uwe

RE: [PyMOL] L-D amino acid conversion using pymol

2004-05-10 Thread Warren DeLano
Heinz-Uwe, For 0.95: The inversion function was changed in version 0.95 to take advantage of multiple picked atoms. To invert a center, Ctrl-middle-click to pick the center atom as pk1 and two stationary atoms as pk2 and pk3. Then type Ctrl-E to invert. For 0.93:

[PyMOL] Creating cell surface

2004-05-10 Thread Tony Giannetti
Hey Fellow PyMolers, I should be able to figure this out but I simply haven't after much fiddling and googling. I'm trying to create a cell surface for a cover figure and in Molscript I usually did this by making a PDF file with a single atom, rendering it in CPK, and then blowing its

RE: [PyMOL] Creating cell surface

2004-05-10 Thread Warren DeLano
Tony, In order to enter multi-line Python code on the command line, you need to use explicit end-of-line continuations. Otherwise, PyMOL won't know where your Python code stops and PyMOL commands again begin. from pymol.cgo import * from pymol import cmd set cgo_sphere_quality, 3 def