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restraints.append() -- read spatial restraints

This command reads restraints, excluded atom pairs, and pseudo atom definitions from a file. An excluded atom pair specifies two atoms that are not to be tested during generation of the dynamic non-bonded pair list. There is one restraint entry per line. The two possible formats of the file, MODELLER and USER, are described in Section 5.3. The routine determines automatically which format is used, based on the presence of the MODELLER or USER keywords in the first line. The new restraints are added to those that are already in memory; if you want to replace them, call restraints.clear() first. All the new restraints are automatically selected.

Example: See restraints.make() command.

Ben Webb 2007-01-19