Re: [PyMOL] loading electrostatic maps generated with apbs

2004-05-14 Thread Michael George Lerner
Hi Cameron, > hi Michael, > > I finally got the APBS plugin to work > (http://mccammon.ucsd.edu/~cmura/PYMOL_examples/apbs_plugin.html). Great! (and nice pictures :)) > The only catch was that I had to make the following changes near line > 500 of your layer4/Cmd.c in order to build the CVS vers

Re: [PyMOL] loading electrostatic maps generated with apbs

2004-05-14 Thread Cameron Mura
hi Michael, I finally got the APBS plugin to work (http://mccammon.ucsd.edu/~cmura/PYMOL_examples/apbs_plugin.html). I'm not sure what I did differently this time, but I did rebuilt PyMOL from scratch and re-downloaded your python modules and modified source files. The only catch was that I h

Re: [PyMOL] loading electrostatic maps generated with apbs

2004-05-14 Thread Ezequiel Panepucci
Michael, | If really do have an up-to-date version of my code, we should probably | figure out what's wrong off-list. I have merged your extensions into PyMOL 0.95. Terrific work. I would like to suggest, although it may be added work for you, that you keep a set of files for the curren

Re: [PyMOL] loading electrostatic maps generated with apbs

2004-05-14 Thread Michael George Lerner
Hi, > (1) fresh, clean install of the pymol-0.95-1.rh90.py22 RPM, downloading > the various electrostatics.py, dx.py, etc. modules from your website and > then using the load_dx() function with DX maps already calculated in a > standalone APBS run... This won't work. For now, PyMOL needs to be r

Re: [PyMOL] loading electrostatic maps generated with apbs

2004-05-13 Thread Cameron Mura
hi Michael et al., I'm still unable to visualize DX-formatted electrostatics maps in PyMOL, as described in my earlier email (attached). I've tried various scenarios to get this to work, including the following: (1) fresh, clean install of the pymol-0.95-1.rh90.py22 RPM, downloading the var

Re: [PyMOL] loading electrostatic maps generated with apbs

2004-05-13 Thread Michael George Lerner
Hi, My code should work again. The parsing errors were probably caused by the fact that my code was out of date with respect to the current CVS version of PyMOL. Please let me know if it doesn't work! Thanks, -michael > Has anyone had luck with loading DX format electrostatic potential maps >

Re: [PyMOL] loading electrostatic maps generated with apbs

2004-05-12 Thread Michael George Lerner
Hi, This is my fault. The scripts are a bit out of date and my Linux box is broken at the moment, so I haven't been able to bring my code up to date with the most recent PyMOL build. I'll put a warning on my webpage. My electrostatics wizard should still work, but the APBS tools (which are requ

[PyMOL] loading electrostatic maps generated with apbs

2004-05-12 Thread Ken Westover
Has anyone had luck with loading DX format electrostatic potential maps that were generated by APBS? I tried to use the electrostatics wizard and load_dx function created by Michael Lerner (http://www-personal.umich.edu/~mlerner/Pymol/) but I get parsing errors when I try to load a map calculat