CYANA Function: acoviol: Difference between revisions
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== Synopsis == | == Synopsis == | ||
acoviol(''integer'',''real'') = ''real'' | |||
== Description == | == Description == | ||
Revision as of 14:45, 11 August 2009
Synopsis
acoviol(integer,real) = real
Description
The acoviol function returns the size of the largest torsion angle restraint violation (in degrees) of the torsion angle integer for a given torsion angle value real (in degrees). This function returns a negative result (-1.0) if no angle restraint exists for the given angle, and 0.0 if the existing restraint(s) are not violated.