Crystallographic refinement of ligand complexes.
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ABSTRACT:
SUBMITTER: Kleywegt GJ
PROVIDER: S-EPMC2483469 | biostudies-literature | 2007 Jan
REPOSITORIES: biostudies-literature
Publications
Crystallographic refinement of ligand complexes.
Acta crystallographica. Section D, Biological crystallography 20061213 Pt 1
Model building and refinement of complexes between biomacromolecules and small molecules requires sensible starting coordinates as well as the specification of restraint sets for all but the most common non-macromolecular entities. Here, it is described why this is necessary, how it can be accomplished and what pitfalls need to be avoided in order to produce chemically plausible models of the low-molecular-weight entities. A number of programs, servers, databases and other resources that can be ...[more]
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