Write aco: Difference between revisions
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= write_aco = | |||
== Parameters == | == Parameters == | ||
Latest revision as of 19:18, 28 January 2009
write_aco
Parameters
- file=filename.aco (required)
- redac
- xplor
- structures=integer
- (default: 10)
- maxwidth=real
- (default: 270.0)
- append
Description
Writes an angle restraint file. Optionally, the output may be appended to an existing file. Optionally, redundant dihedral angle restraints for the Redac strategy (Guentert & Wuethrich, 1991) may be derived from the current angle statistics and included in the output (option redac; see the commands angstat make and redac). In order to generate redundant dihedral angle restraints for a given residue, its local target function value (and that of its immediate neighbors must be below the cutoff value given by the variable ang_cut in at least N structures. Redundant dihedral angle restraints with an allowed range wider than Df degrees are discarded. The parameters structures and maxwidth can only be in conjunction with the redac option.