[PyMOL] color

2004-04-08 Thread sheu
Hi, I have a naïve question here. Is there any command line equivalent to using the menu color the by spectrum (rainbows and etc)? Thanks! -shuhsien

[PyMOL] Python commands and variables

2003-08-27 Thread Shu-Hsien Sheu
Hi, I am new to Pymol with some experiences with Python. I have a basic question which maybe a little stupid. Does Pymal take Python commands in selecting atoms? For instance: i = range(1, 299) select resi i or, further: for i in range(1, 299) select resi i I understand the above can be e

[PyMOL] Accessing PyMol's commands from outside (or without viewer)

2003-10-08 Thread Shu-Hsien Sheu
Hi, This should be a trial question though I cannot find a way of doing it. I have a simple script that looks like this: (the original commands, rather than cmd.select..) select ligand, resn XYZ select protein, ! ligand select box, protein within 8 of ligand select box, box or byres box save

Re: [PyMOL] Accessing PyMol's commands from outside (or without viewer)

2003-10-08 Thread Shu-Hsien Sheu
Dear Dr.DeLano, Thanks! That really helps! Two more questions: Does the 'pymol -qc' takes command line variables (os.argv in python)? For example, the first line of my script would be: cmd.do('load %s' %os.argv[1]) Second question might be off a little bit. Is it possible to wrap PyMol as a mod

RE: [PyMOL] color

2004-04-08 Thread Shu-Hsien Sheu
Thanks! And the util.rainbow works, too, but it produces different result than the default spectrum. However, there seems to be no PyMOL API for spectrum: cmd.spectrum So unfortunately I am unable to code that command in a python loop. (or I am missing something again?) -shuhsien -Orig

[PyMOL] installation problem

2004-04-15 Thread Shu-Hsien Sheu
Hi, Our system administrator of a linux cluster have trouble upgrading from 0.93 to 0.95: [mfitz...@man local]$ sudo rpm -U --test pymol-0.95-1.rh73.py22.i386.rpm [mfitz...@man local]$ sudo rpm -U pymol-0.95-1.rh73.py22.i386.rpm warning: user warren does not exist - using root warning: user warre