CYANA Macro: deposit: Difference between revisions
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== Parameters == | == Parameters == | ||
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== Description == | == Description == | ||
Prepares coordinate and chemical shift files for Protein Data Bank (PDB) (Berman et al., 2000) and BioMagResBank (BMRB) (Seavey et al., 1991) deposition. A coordinate file for PDB deposition is produced by superimposing the selected structures for minimal RMSD of the backbone atoms N, C<sup>α</sup>, C’ in the residue range specified by the current value of the variable [[CYANA Variables: rmsdrange|'''rmsdrange''']]. The structure with the smallest RMSD value to the mean coordinates will be the first model in the output PDB file. Atom names are adapted to PDB nomenclature (HX1/HX2 instead of HX2/HX3) for methylene groups). | |||
Latest revision as of 14:02, 12 August 2009
Parameters
- pdb=filename.pdb
- (default: none)
- bmrb=filename.bmrb
- (default: none)
Description
Prepares coordinate and chemical shift files for Protein Data Bank (PDB) (Berman et al., 2000) and BioMagResBank (BMRB) (Seavey et al., 1991) deposition. A coordinate file for PDB deposition is produced by superimposing the selected structures for minimal RMSD of the backbone atoms N, Cα, C’ in the residue range specified by the current value of the variable rmsdrange. The structure with the smallest RMSD value to the mean coordinates will be the first model in the output PDB file. Atom names are adapted to PDB nomenclature (HX1/HX2 instead of HX2/HX3) for methylene groups).