Re: [PyMOL] Help for surface coloring

2011-07-28 Thread Hongbo Zhu
I have a slightly different answer using (almost:) only PyMOL commands: # take 1acb as example fetch 1acb, async=0 import numpy # center is [x0,y0,z0] x0,y0,z0=[1,2,3] alldist = [] iterate_state 1, 1acb, alldist.append(numpy.sqrt(numpy.sum([(x-x0)**2,(y-y0)**2,(z-z0)**2]))) # assign dist to b-

Re: [PyMOL] Help for surface coloring

2011-07-28 Thread Jason Vertrees
Hi Robert, I did something like this in the past. Check out the ramp_new command page on the PyMOLWiki for an example (http://pymolwiki.org/index.php/Ramp_new#Elaborate_examples) for arbitrary functions. Here's a very quick way to color a surface by distance from a given point--here I chose the o

Re: [PyMOL] Help for surface coloring

2011-07-28 Thread Thomas Holder
Hi Robert, you can set the distance between each atom and the center as b-factor, and then use spectrum (or spectrumany [1]) for coloring. I wrote a small python script that will do that, see attachment. Example (in PyMOL command line): run distancecoloring.py centerdistance2b (all) spectrum

[PyMOL] Help for surface coloring

2011-07-28 Thread Muench, Robert
Dear community, I was searching the internet for several days now to find out how to perform a distance dependent coloring in pymol. The idea is to color the surface of a viral (spherical) structure. I would like to define the xyz-coordinates of the center of the viral structure an color all r