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 wrote: > Hey :) > > Does the script pasted below do what you want? It does not move the > molecule(s), but

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 = min(x),(1-1e-16)/(max(x)

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

[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 one