A number of real-space torsion-angle refinement techniques for proteins, nucleic acids, ligands and solvent - PubMed (original) (raw)
A number of real-space torsion-angle refinement techniques for proteins, nucleic acids, ligands and solvent
T J Oldfield. Acta Crystallogr D Biol Crystallogr. 2001 Jan.
Abstract
This paper describes the implementation of real-space torsion-angle refinement as a tool for model (re)building. The algorithmic details and parameterization for a number of different protocols are presented, as well as the handling of special conditions. Examples illustrating the use of the algorithms show that these tools provide a great advantage over traditional methods for building macromolecular structures. All these algorithms have been implemented in QUANTA (MSI), currently available as version QUANTA98.
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