[Chimera-users] 3D surfaces from MacMolPlt or Gamess
goddard at cgl.ucsf.edu
Fri Jun 13 12:37:27 PDT 2008
What is the format of the grid data from the Gamess DFT calculation?
It seems like it would be better to read the Gamess file instead of the
grid file produced by MacMolPlt.
The MacMolPlt 3D surface export would be simple to read in Chimera
using a modified version of the Gaussian cube file reader (Python code
chimera/share/VolumeData/gaussian/gaussian_format.py). I would need an
example file to test with.
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