JLigand: a graphical tool for the CCP4 template-restraint library.

ABSTRACT: Biological macromolecules are polymers and therefore the restraints for macromolecular refinement can be subdivided into two sets: restraints that are applied to atoms that all belong to the same monomer and restraints that are associated with the covalent bonds between monomers. The CCP4 template-restraint library contains three types of data entries defining template restraints: descriptions of monomers and their modifications, both used for intramonomer restraints, and descriptions of links for intermonomer restraints. The library provides generic descriptions of modifications and links for protein, DNA and RNA chains, and for some post-translational modifications including glycosylation. Structure-specific template restraints can be defined in a user's additional restraint library. Her

SUBMITTER: Lebedev AA 

PROVIDER: S-EPMC3322602 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature