[PyMOL] Trying to plug APBS into PyMOL for electrostatics (not working yet)

NOTE: this doesn't actually work yet, so most people can probably ignore this message completely .. but i'd love some help! :) Hi, I've been doing all of my electrostatics calculations in MOE, but I'd like to switch to PyMOL. I looked/asked around a bit and found APBS

RE: [PyMOL] Trying to plug APBS into PyMOL for electrostatics (not working yet)

Michael, Impressive! I think you're one of the few people to delve into PyMOL's source like this. Obviously I'd be the best person to look at your code, but I'm crunched right now getting ready for this upcoming trip. Also, if the code is GPL-contaminated, then it can't be usefu

[PyMOL] assign secondary structure?

Hi, I have a 'raw' pdb file of atom coordinates only, and I'm hoping to use the dss command in pymol to get helix and strand designations that I can paste back into the header space of the pdb so that I can model fancy helices and strands and so forth to get a nice picture in pymol. Then I can

RE: [PyMOL] assign secondary structure?

Michael, Unfortunately PYMOL/dss doesn't generate quite enough information to recreate PDB SHEET and HELIX records. PyMOL (like other programs) simplifies the secondary structure concept down to a per-residue property. There is no such thing as a sheet or helix in PYMOL, but merely sets