CYANA Command: write lib: Difference between revisions
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Writes a residue library file. By default, the residue library is written in a format with numeric atom pointers for defining rotatable torsion angles atoms, covalent connectivities, and pseudo atoms. This format can be used by other programs, e.g. MOLMOL. With the option '''names''' this information can be written | Writes a residue library file. By default, the residue library is written in a format with numeric atom pointers for defining rotatable torsion angles atoms, covalent connectivities, and pseudo atoms. This format can be used by other programs, e.g. MOLMOL. With the option '''names''' this information can be written in an alternative format that uses atom names. The latter simplifies editing the library file, for instance when [[defining non-standard residues]]. | ||
Latest revision as of 08:21, 22 July 2014
Parameters
- file=filename.lib
- (required)
- names
Writes a residue library file. By default, the residue library is written in a format with numeric atom pointers for defining rotatable torsion angles atoms, covalent connectivities, and pseudo atoms. This format can be used by other programs, e.g. MOLMOL. With the option names this information can be written in an alternative format that uses atom names. The latter simplifies editing the library file, for instance when defining non-standard residues.