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 firstname.lastname@example.org 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.
- Phenix/DivCon: FAQ
- Phenix/DivCon Installation Instructions
- Guidelines: X-ray Refinement
- Phenix/DivCon Command Line Options
- Phenix/DivCon (Command Line) Tutorial
- Phenix/DivCon (MOE Interface) Tutorial for 1AZM Case Study
- Evaluation Planning Guide
- The Basics: Getting Started With DivCon
- XModeScore Usage & Tutorial
- BUSTER/DivCon Tutorial