[Chimera-users] 3D surfaces from MacMolPlt or Gamess

Tom Goddard goddard at cgl.ucsf.edu
Fri Jun 13 12:37:27 PDT 2008

Hi David,

  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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