[PyMOL] RES: radius of gyration

2011-03-31 Thread Julio Cesar da Silva
Dear Kanika, I do not know how to calculate the Rg using PyMOL. If it is possible, I would also like to know how. However, there are other possibilities. Do you have the pdb file of the molecule from what you want to calculate the radius of gyration? If so, you may use the program CRYSOL

Re: [PyMOL] RES: radius of gyration

2011-03-31 Thread Tsjerk Wassenaar
Hi :) The radius of gyration is not that tough. Here's a python script to do it in pymol. Do note that the hydrodynamic radius is something related, but different. from pymol import cmd import math def rgyrate(selection): # Get the atoms for the selection model=cmd.get_model(selection).atom

Re: [PyMOL] RES: radius of gyration

2011-03-31 Thread Thomas Holder
Hi Tsjerk, very nice script! I have added it to the PyMOLWiki at http://pymolwiki.org/index.php/Radius_of_gyration Cheers, Thomas Tsjerk Wassenaar wrote, On 03/31/11 16:07: Hi :) The radius of gyration is not that tough. Here's a python script to do it in pymol. Do note that the