On 8 Sep 2007, at 17:01, William Scott wrote:
Hi folks:Is there a simple way (or a standard format) that would enable me to display electron density calculated from a QM program and to compare it with experimental density?Thanks. Bill William G. Scott contact info: http://chemistry.ucsc.edu/~wgscott
CCP4MG can also read Gaussian cube files. Someday the ability to calculate a map from basis function definition, wave function data, density matrix, etc. will appear.
Best Wishes, Stuart McNicholas
