ProSHADE_descriptors.cpp File Reference

This file contains all the functions for computing and pre-computing the three shape descriptors. More...

#include <fftw3.h>
#include <wrap_fftw.h>
#include <makeweights.h>
#include <s2_primitive.h>
#include <s2_cospmls.h>
#include <s2_legendreTransforms.h>
#include <s2_semi_fly.h>
#include <rotate_so3_utils.h>
#include <utils_so3.h>
#include <soft_fftw.h>
#include <rotate_so3_fftw.h>
#include <rvapi_interface.h>
#include "ProSHADE.h"
#include "ProSHADE_internal.h"
#include "ProSHADE_misc.h"
#include "ProSHADE_legendre.h"

Go to the source code of this file.

Detailed Description

This file contains the functions required to compute and pre-compute the energy levels, trace sigma and full rotation function shape descriptors. These are present in two forms, one for the symmetry computation class and one for the actual distance computation class. This is because some of the pre-computation results are actually required by the symmetry detection process.

This file is part of the ProSHADE library for calculating shape descriptors and symmetry operators of protein structures. This is a prototype code, which is by no means complete or fully tested. Its use is at your own risk only. There is no quarantee that the results are correct.

Author

Michal Tykac

Garib N. Murshudov

Version

0.6.5

Date

NOV 2018

Definition in file ProSHADE_descriptors.cpp.