[Chimera-users] coloumbic coloring when surface can't be calculated?

Oliver Clarke olibclarke at gmail.com
Sat Apr 29 12:49:52 PDT 2017


Hi, I have a structure (well, lots of structures) for which surface calculation fails in Chimera. I can rescue surface calculation using the ‘grid’ option (e.g. surf #0 grid 1), but then I can’t figure out how to apply coulombic coloring to that surface. 

I could use APBS, but PDB2PQR seems to choke on especially large/complicated structures.

Is there any way around this? Would it be possible to export the coloumbic potential as a .dx file and use that for electrostatic surface coloring?

Cheers
Oli


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