Rosetta 3.3
Namespaces | Functions
src/numeric/model_quality/maxsub.hh File Reference
#include <ObjexxFCL/ObjexxFCL.hh>
#include <numeric/model_quality/rms.hh>
#include <numeric/model_quality/RmsData.hh>
#include <utility/vector1.hh>


namespace  numeric

A 1D histogram based upon a map structure.

namespace  numeric::model_quality


void numeric::model_quality::maxsub (int &nsup, FArray1A_double xe, 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
double numeric::model_quality::erfcc (double x)
void numeric::model_quality::COMAS (FArray1A< double > C, FArray1A< double > WT, int NAT, double &XC, double &YC, double &ZC)
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