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file = <str:1> |
'default' |
input restraints file |
|
|
|
- Description:
- 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 3.7. 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 model.restraints.clear() first. All the new restraints are
automatically selected.
Example: See model.restraints.make() command.
Next: model.restraints.write() write
Up: Calculation of spatial restraints
Previous: model.restraints.spline() approximate
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Ben Webb
2005-04-21