Looks to me that you need to use a .sparchive file, not .spartan, if you
want orbitals. The charge business is fixed; if you want to use Mulliken
charges, that can be done with
LOAD ... filter "charge=mulliken"
I've also just added
LOAD ... filter "natcharge"
just for you, Otis. ;)
Bob
On W
Bob,
I decided to pull the charges out of the iSpartan files using Jmol's javascript
getPropertyAsString with fileContent after the spartan file is loaded. This
allows me to provide users with the ability to 3-way "toggle" MULCHARGES,
ESPCHARGES, and NATCHARGES without reload of the model. The
2 matches
Mail list logo
