[PyMOL] question on making movie between two scenes with different point of view

2008-06-23 Thread liu junjun
Hello everybody, I'm trying to make a movie for chaning the point of view on a structure. I let PyMol read in matrix then define it as a scene. After the movie was set up, I can watch the movie playing well on the PyMol window. However, if I try to save the PNG sequence, I get few discontinuous pi

[PyMOL] NMR Chemical shift perturbation data to surface representation

2008-06-23 Thread Jason Vertrees
Ankit, This has been detailed on the PyMOLWiki. All you need is (1) a structure and (2) a text file with one number for each residue. To make it more accurate, you can do one number per atom, but then the script(s) will need to be changed a little. So, check out http://www.pymolwik

Re: [PyMOL] Question about PyMOL development

2008-06-23 Thread DeLano Scientific
Fengyuan, Although we cannot answer specific questions about an unsupported interface, your question about "self_cmd" is relevant to the overall project since we are intending to support multiple PyMOL instances within a single Python interpreter via: from pymol2 import PyMOL instance1 = PyM

Re: [PyMOL] Question about PyMOL development

2008-06-23 Thread DeLano Scientific
Fengyuan, Unfortunately, the PyMOL's internal gui pop-up menu system was not designed as nor intended to be a programmers interface and is subject to change at any time. Any code which relies upon its behavior may therefore break with future versions of the software. Cheers, Warren -- DeLa

Re: [PyMOL] NMR Chemical shift perturbation data to surfacerepresentation

2008-06-23 Thread DeLano Scientific
First, load a PDB file with values encoded in the B-factor column. Then issue a command like the following: spectrum b specturm b, minimum=10, maximum=50 spectrum b, minimum=10, maximum=50, palette=blue_red Predefined palettes include: blue_greengreen_white_magenta red_cya