| From: "Warren L. DeLano" <war...@delanoscientific.com>
| To: <pymol-users@lists.sourceforge.net>
| Date: Thu, 10 Jul 2003 12:40:23 -0700
| Subject: [PyMOL] New Map Formats Coming...
|
| PyMOLers,
|
| In response to user requests, I have added support for BRIX ("O" maps)
| and FLD (AVS Field) map formats in the current development version.
| Are there any other map formats which people would use heavily if PyMOL
| were able to support them?
I just remembered, MOLMOL does some sort of surface potential
calculation which it writes out as a tt.pot file which is realy easy,
free and multi platform. Trying to get molmol to then apply this
potential is not so easy. If PyMOL could read this then the
'endianness' may not be a problem as the data would just be transferable
within the same OS.
Ref (from MolMol help file):
Nicholls, A, Honig, B.
A rapid finite difference algorithm, utilizing
successive over-relaxation to solve the
Poisson-Bolzmann equation.
Journal of Computational Chemistry, 12 (1990) 435-445
Jules
