Angstat make: Difference between revisions
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= angstat_make = | |||
== Parameters == | == Parameters == | ||
Latest revision as of 19:18, 28 January 2009
angstat_make
Parameters
- threshold=real
- (default: 0.2)
Description
The angstat make command adds the current structure to the angle statistics that is used to determine redundant dihedral angle restraints in the REDAC strategy (Guntert & Wuthrich, J. Biomol. NMR 1, 447-456, 1991) implemented in the redac macro.
First, the local target function value of every single residue is calculated by summing up all contributions to the target function from restraints that involve that given residue. If a residue and its closest neighbors have a local target function value below the threshold, then all torsion angles of the central residue are added to the angle statistics.