[PyMOL] Putting a protein molecule into a grid and traversing through the grid

2011-10-27 Thread Anasuya Dighe
how do i put a protein molecule inside a cube with x-axis spanning till the largest x-coordinate, y-axis spanning till the largest y-coordinate, and z-axis spanning till the largest z-coordinate? Once i do this, can i divide the larger cube(i.e. the one holding the entire protein) into smaller

Re: [PyMOL] Pymol: Cartoon representation for .pdb file with multible entries

2011-10-27 Thread Alexander Schulz
Hi Robert, this solves exactly my problem and gives me the pictures I wanted. Thank you very much for the quick answer! Cheers, Alexander Am Mittwoch, den 26.10.2011, 09:48 -0400 schrieb Robert Campbell: Hi Alexander, On Wed, 2011-10-26 12:53 EDT, Alexander Schulz

Re: [PyMOL] Putting a protein molecule into a grid and traversing through the grid

2011-10-27 Thread Thomas Holder
Hi Anasuya, how do i put a protein molecule inside a cube with x-axis spanning till the largest x-coordinate, y-axis spanning till the largest y-coordinate, and z-axis spanning till the largest z-coordinate? Once i do this, can i divide the larger cube(i.e. the one holding the entire

Re: [PyMOL] Putting a protein molecule into a grid and traversing through the grid

2011-10-27 Thread Tsjerk Wassenaar
Hey :) Does the script pasted below do what you want? It does not move the molecule(s), but it returns a list of occupied bins with the ids, names and chains of residues in it. Hope it helps, Tsjerk ### from pymol import cmd def _bin(x,d): d = float(d) a,b,n =

Re: [PyMOL] Putting a protein molecule into a grid and traversing through the grid

2011-10-27 Thread Tsjerk Wassenaar
Right, forgot to mention that the bin is given as the coordinates of the lower corner, relative to the minimal coordinates. Cheers, Tsjerk On Thu, Oct 27, 2011 at 6:02 PM, Tsjerk Wassenaar tsje...@gmail.com wrote: Hey :) Does the script pasted below do what you want? It does not move the

[PyMOL] Possible lighting bug

2011-10-27 Thread Stephen J. Bush
I have a problem with lighting (I think) CGO lines, e.g., lineSet = [ LINEWIDTH, 0.30, BEGIN, LINES, VECTOR, 0.0, 0.0, 0.0, VECTOR, 1.0, 1.0, 1.0, END, ] cmd.load_cgo( lineSet, 'LineSet' ) For some reason, lines appear crisp from one angle, and strangely distorted from