maxsub.cc 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/FArray1.hh>
#include <ObjexxFCL/FArray1D.fwd.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <ObjexxFCL/FArray2.hh>
#include <ObjexxFCL/Star.hh>
#include <numeric/numeric.functions.hh>
#include <ObjexxFCL/FArray1A.hh>
#include <ObjexxFCL/FArray2A.hh>
#include <cmath>
#include <cstdlib>

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)

Detailed Description

ab-initio fragment assembly protocol for proteins

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

Author

James Thompson