Supported Applications
DivCon Discovery Suite
-
Description
a linear-scaling, semiempirical quantum mechanics (SE-QM) program DivCon with the Phenix X-ray refinement engine. Phenix/DivCon does not utilize CIF(s), link restraints and other refinement parameters so there are fewer assumptions about the model. Accurate energy and density scoring tools also allow tautomer/protomer and “flip state” determination.
-
Installation
Use the following command to install this title with the CLI client:$ sbgrid-cli install phenixdivcon
-
Primary Citation*
O. Borbulevych, J. Plumley, R. Martin, K. J. Merz, and L. Westerhoff.. 2014. Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package. Acta Crystallogr D Biol Crystallogr.. 70: 1233-1247.
-
*Full citation information available through
-
-
Webinars
-
Keywords
-
Default Versions
Linux 64:  DEV.590
-
Other Versions
OS X INTEL:
DEV.590