Manual: Phenix/DivCon & BUSTER/DivCon

Manual: Phenix/DivCon & BUSTER/DivCon

In recent years, we have published a number of papers on the subject of integrating QuantumBio’s quantum mechanical methods with the X-ray refinement process. This integration was originally implemented using AMBER along with the CNS/CNX refinement platform. Phenix, available for both industrial and academic installations from the Lawrence Berkeley Lab, has become one of the most popular X-ray refinement packages available, and QuantumBio has completely redesigned the integration using QuantumBio’s modern plugin architecture. This plugin to Phenix offers a seamless integration with the standard phenix.refine “engine” command line application. If you are interested in using the software, contact for more information and visit the Phenix/DivCon page on this website for example structures.

More recently, support for BUSTER has been added as a co-equal platform (along side Phenix). There are specific tutorials available below for BUSTER, but all tutorials will work with either platform with the use of the proper bin/qbphenix or bin/qbbuster shell script.

Click on the links below for installation instructions, configuration options, a tutorial, and case studies.

Manual Contents

Other Resources