13 Jun
2008
13 Jun
'08
12:37 p.m.
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. Tom