MBG wiki | RecentChanges | Blog | 2021-09-24 | 2021-09-23

Electrostatics calculations with APBS and PyMol

APBS is available on all machines but PyMol is only available on the newer nodes. You better sit on one of them.


Start with a clean PDB of your structure. PyMol can add missing hydrogens and side chains (?), but you can always use a PDB file prepared by psfgen. Then :

 Electrostatics with APBS and PyMol (molecular surface)