[PyMOL] APBS

2005-11-19 Thread Brian J Goodfellow
Dear Users, I was wondering does anyone know how to get nice APBS generated electrostatic surfaces in MacPyMOL. I know the APBS plugin can't/ won't work in MacPyMOL so I guess it's a question of what do I do with the output from APBS (I assume it's the dx file) to get a surface in MacPyMOL

RE: Question about commandline -d option (was RE: [PyMOL] displaying protein with propeptide)

2005-11-19 Thread Warren DeLano
> This is awesome. It looks like this has been a valid setting > for a *long* time, but I've never seen it. I look at a lot > of MCSS-type structures, and I have some really painful > scripts that get the bonds right once the structure is loaded > in PyMOL. Now, I can just stamp the CONECT r

RE: [PyMOL] problem with amber trajectory

2005-11-19 Thread Warren DeLano
Dmitry, VMD may have the ability to shift and recombine the molecule relative to the periodic boundary in order to avoid this dismembered effect, whereas currently PyMOL does not. I believe ptraj can do this for you, though it has been ages since I have tried using PyMOL with Amber. Cheers, Warr

[PyMOL] problem with amber trajectory

2005-11-19 Thread Dmitry Kondrashov
Hi, I have a prloblem with viewing AMBER trajectory files, specifically, the topology appears messed up. When I load the trajectory into the topology object, the structure shows up dismembered into eight pieces on the vertices of a cude. I should note that I can load an AMBER coordinate f