[phenixbb] Announcement: QuantumBio Release of QM-based X-ray Crystallography Plugin v1.0 for Phenix

Lance Westerhoff lance at quantumbioinc.com
Tue Feb 25 07:30:05 PST 2014

Hello All-

We are pleased to announce the release of our linear scaling, quantum mechanics DivCon Discovery Suite plug-in v1.0 for the Phenix, x-ray crystallography platform. As was detailed in the recent Phenix Newsletter, when this plugin is installed, the conventional refinement functional along with the stereochemical restraints or CIFile for the ligand(s) and for the surrounding active site(s) are replaced with QM data in "real time" during the refinement in order to increase structural accuracy and decrease artificial strain.  To see the full press release along with references and links for further information, please take a look at the following website:


To encourage adoption, we have waived the license fee for non-profit, academic use and we have posted our commercial evaluation license as well. These licenses are available at the following link:


Certainly, let me know if you have any questions or if you would like to try out the technology on your own structures.

Lance M. Westerhoff, Ph.D.
President and General Manager
QuantumBio Inc. 

WWW:    http://www.quantumbioinc.com
Email:    lance at quantumbioinc.com

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