[PyMOL] Change in Selection Behavior

2004-05-14 Thread Warren DeLano
PyMOL-Users, I've been unhappy with the way the user interface for selection works in PyMOL and am planning a change. Going forward: 1) There will the concept of an "active" selection. 2) The enabled (visible) selection will be the active selection. 3) Only one selection can be enabled/activ

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