Rosetta
Namespaces | Functions
maxsub.hh File Reference
#include <ObjexxFCL/FArray1A.fwd.hh>

Namespaces

 numeric
 Unit headers.
 
 numeric::model_quality
 

Functions

void numeric::model_quality::maxsub (int &nsup, ObjexxFCL::FArray1A_double xe, ObjexxFCL::FArray1A_double xp, double &rms, double &psi, int &nali, double &zscore, double &evalue, double &score, double rmstol, double distance_tolerance)
 identify the largest subset of CA atoms of a model that superimposes "well" (under certain rms cutoff) over the experimental structure More...
 
double numeric::model_quality::erfcc (double x)
 
void numeric::model_quality::COMAS (ObjexxFCL::FArray1A< double > C, ObjexxFCL::FArray1A< double > WT, int NAT, double &XC, double &YC, double &ZC)