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.