Re: [PyMOL] APBS plugin for Sugars

2020-06-17 Thread Mario Garcia Urena
(if feasible, I am brainstorming!) Thanks again for your help and for your help in advance, Mario -Original Message- From: Thomas Holder Sent: Monday, June 15, 2020 9:37 AM To: Mario Garcia Urena Cc: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] APBS plugin for Sugars Hi

Re: [PyMOL] APBS plugin for Sugars

2020-06-15 Thread Thomas Holder
Hi Mario, Incentive PyMOL 2.x includes regular APBS and PDB2QPR. You should be able to manually edit the files there as well. For example with PyMOL 2.4.0 on Linux, the AMBER force field data files can be found like this: $ find . -name "AMBER.*"

[PyMOL] APBS plugin for Sugars

2020-06-14 Thread Mario Garcia Urena
Hi all, I was trying to generate dipole moments with pymol using the APBS plugin. For proteins I adapted a code and the dipole moments are correct and work just fine, but for sugars it does not. I am well aware that the problem is that many of the residues are not present in the AMBER force