Re: [PyMOL] Changing Bfactors

Hi Ramakrishna, On Jan 12, 2008 3:51 PM, rama krishna ram...@gmail.com wrote: Dear User, I need to color the Molecule based on generalized order parameter after running the script data2bfactor i used the command data2b_res 'mol','datafile' after that it shows that IOError: [Errno 2] No

Re: [PyMOL] Changing Bfactors

On Sat, 12 Jan 2008 20:21:37 +0530, rama krishna ram...@gmail.com wrote: Dear User, I need to color the Molecule based on generalized order parameter after running the script data2bfactor i used the command data2b_res 'mol','datafile' after that it shows that IOError: [Errno 2] No such

[PyMOL] algorithm for surface calculation?

Hi all, Anyone know which algorithm PyMOL uses to calculate the surface representation of a molecule? Thanks, Tom Tullius

Re: [PyMOL] algorithm for surface calculation?

Tom, PyMOL provides a discrete brute-force approximation to the molecular surface as defined by the atomic van der Waals radii and the surface of all possible 1.4 A spherical waters in contact with the molecule. Cheers, Warren -Original Message- From: