Discovery Studio integration

Bader charge density analysis

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noj2323
Posts: 3
Joined: Tue Feb 02, 2010 10:50 am

Discovery Studio integration

Post by noj2323 » 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

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