Rosetta 3.3
Namespaces | Functions
src/numeric/model_quality/ File Reference

ab-initio fragment assembly protocol for proteins More...

#include <numeric/model_quality/rms.hh>
#include <numeric/model_quality/maxsub.hh>
#include <numeric/model_quality/RmsData.hh>
#include <ObjexxFCL/FArray1A.hh>
#include <ObjexxFCL/FArray2A.hh>
#include <ObjexxFCL/FArray3D.hh>
#include <ObjexxFCL/FArray3A.hh>
#include <cmath>
#include <cstdlib>


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)

Detailed Description

ab-initio fragment assembly protocol for proteins

Detailed: Routines for calculating maxsub-based structural quality scores. Based on code originally
written by Charlie Strauss for rosetta++, ported over by James Thompson.
James Thompson
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