Discovery Studio integration
Posted: Thu Dec 02, 2010 4:22 pm
I've written some wrappers around the Bader code which enables calculation and result visualisation directly from within Discovery Studio Modelling package.
The protocol which uses DMol3 for the calculation of the electron density. is available for free download from the Accelrys forum: https://community.accelrys.com/thread/3400
Noj
The protocol which uses DMol3 for the calculation of the electron density. is available for free download from the Accelrys forum: https://community.accelrys.com/thread/3400
Noj