Structures violate: Difference between revisions
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= structures violate = | |||
== Parameters == | == Parameters == | ||
Revision as of 19:12, 28 January 2009
structures violate
Parameters
- significant=integer
- (default: none)
- delete=real
- (default: 0.0)
- sum|average|rms
Description
Lists violations of distance restraints and angle restraints violations that exceed in at least n of the selected structures the cutoffs given by the variables cut_upl, cut_lol and cut_aco. Optionally, all violated restraints that are listed may be deleted.
structures select 1..20 structure violate structures=10 delete Deletes all distance and angle restraints that are violated in at least 10 out of the selected 20 structures.