ProSHADE_clipper.cpp File Reference

This file contains the function definitions for all functions interfacing clipper and processing the data from it. More...

#include <clipper/clipper.h>
#include <clipper/clipper-contrib.h>
#include <clipper/clipper-ccp4.h>
#include <clipper/clipper-mmdb.h>
#include <clipper/clipper-minimol.h>
#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 <cmaplib.h>
#include <rvapi_interface.h>
#include "ProSHADE.h"
#include "ProSHADE_internal.h"
#include "ProSHADE_misc.h"

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Detailed Description

This cpp file contains the functions to read in data from both, PDB and MAP files as well as functions to deal with the processed data up to the point of computing spherical harmoncis.

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_clipper.cpp.