
20 Dec
2004
20 Dec
'04
2:37 p.m.
Hi Joshua, I tried your Gaussian cube file reader and it worked fine. I'll look at including it in Chimera. I may want to create the atoms when the file is read. Also the documentation says the number of atoms can be negative indicating it is an orbital cube file. I may want to handle that case, or at least give a sensible error message if such a file is read. Thanks for contributing your code. Tom