Direct use of weighted Quantum Chemical Energy for ligands in BUSTER refinement:

How to cite use of QM in refinement.

  • QM in BUSTER refinement was first described in a talk to the CCP4 Study Weekend, 6 January 2011.
  • We are currently preparing publications until then please cite the talk/abstract.

Page by Oliver Smart 03 Feb 2011. Any questions regarding our software or this wiki should be directed to buster-develop@globalphasing.com