Re: [PyMOL] Electrostatic potential surface

The problem with pdb2pqr have been solved :) Another question which I have is the calculation of the potential maps from the ensemble of the conformers (for example I want to compare potential distribution from the ensemble of the x-ray structures of one protein which were solved in different

[PyMOL] How to avoid the protonation of a particular atom

Hello, I'm working with a receptor that has a catalytic Zn and i have to protonate everything except this atom. I have proved everything to avoid this protonation (put Zn2+ on the pdb, change the protonation with builder...etc) without success. Could you please tell me how to do this? I'm using

Re: [PyMOL] How to avoid the protonation of a particular atom

Hi, Protonate everyone, deprotonate that particular atom Cheers, João 2013/4/1 gdus...@cbm.uam.es Hello, I'm working with a receptor that has a catalytic Zn and i have to protonate everything except this atom. I have proved everything to avoid this protonation (put Zn2+ on the pdb,

Re: [PyMOL] Howto fake mouse events in pymol

Hi Camilo, Currently we only offer this level of access via the C-library, so it's not accessible to end-users. The current workaround is to use the move and rotate commands. Cheers, -- Jason On Sun, Mar 31, 2013 at 10:31 AM, Camilo Andrés Jimenez Cruz camilo.jimen...@gmail.com wrote: Hi