Journal
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
Volume 68, Issue -, Pages 431-440Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S090744491200251X
Keywords
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Funding
- BBSRC [BB/F001134/1]
- Wellcome Trust [064405/Z/01/A]
- CCP4
- MRC [MC_US_A025_0104]
- BBSRC [BB/F001134/1, BB/F020228/1] Funding Source: UKRI
- MRC [MC_UP_A025_1012] Funding Source: UKRI
- Wellcome Trust [064405/Z/01/A] Funding Source: Wellcome Trust
- Biotechnology and Biological Sciences Research Council [BB/F001134/1, BB/F020228/1] Funding Source: researchfish
- Medical Research Council [MC_UP_A025_1012] Funding Source: researchfish
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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. Here, JLigand, a new CCP4 graphical interface to LibCheck and REFMAC that has been developed to manage the user's library and generate new monomer entries is described, as well as new entries for links and associated modifications.
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