Charge plugin data file.

Marvin Scetch 5.4.0.1

Running on Windows XP with Java 1.6.0_24

This may seem a trivial question, but how can I obtain a data file of the charges calculated from the charge plugin. The file must be created to pass onto Marvin Space but I cannot find it.

 

Steve bailey

Lancaster University

UK

Dear Steve,

 

Sorry for the late answer. MarvinSpace is capable of reading charges stored in mol2 files. Any volumetric data can be read from Gaussian Cube file format.

 

Regards,

Gabor