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Stereochemical parameters and molecular topology
All molecular modeling programs generally need to know what are the atoms
in all residue types, what are the atom pairs that are covalently bonded
to each other (i.e., molecular topology), and what are the ideal bond lengths,
angles, dihedral angles, and improper dihedral angles (i.e., internal
coordinates and stereochemical restraints). For a given MODEL, these
data are constructed mostly from information in the residue topology
and parameter libraries. This section describes the commands for reading
and writing parameter and residue topology libraries, and for generating,
patching, and mutating molecular topology.
Subsections
Ben Webb
2004-10-04