ProSHADE_spharmonickit.cpp File Reference

This file contains all the functions related to computing the spherical harmonics decomposition. 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"

Go to the source code of this file.

Detailed Description

This file contains all the functions required to interact with the SOFT2.0 library (http://www.cs.dartmouth.edu/~geelong/soft/) and to compute the spherical harmonics decomposition of any the processed data from either the PDB of MAP files. It also contains functions required to map the data onto spheres.

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_spharmonickit.cpp.