ProSHADE_wigner.cpp File Reference

This file contains the functions required to compute Wigner D matrices for rotation in spherical harmonics space. 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 two version of the same function; one for the detection of symmetries and one for computation of distances. This function uses part of the SOFT2.0 library (http://www.cs.dartmouth.edu/~geelong/soft/) and some direct calls to it to compute the Wigner D matrices, which have the property that if spherical harmonics coefficients are multiplied by these, the result is identical as rotating the structure and then computing the spherical harmonics; in other words, these are the rotation matrices in spherical harmonics space.

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_wigner.cpp.