Structures list: Difference between revisions
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= | = structures_list = | ||
== Parameters == | == Parameters == | ||
Latest revision as of 19:18, 28 January 2009
structures_list
Parameters
- sum|average|rms
Description
Lists target function value and statistics of restraint violations for all selected structures. For each type of restraints (upper distance limits, lower distance limits, van der Waals lower distance limits, torsion angle restraints, coupling constants, and orientational restraints) the number of violations exceeding the cutoff value (variables cut_upl, cut_lol etc.), either the sum, average or rms (root-mean-square) violation, and the maximal violation will be given. Average and rms violation cannot be calculated for van der Waals restraints.