![]() |
ProSHADE
0.6.6 (DEC 2018)
Protein Shape Descriptors and Symmetry Detection
|
| ▼ src | |
| ▼ bin | |
| bin.cpp | This code is the main function for the executable |
| ▼ examples | |
| ▼ python | |
| buildDatabase.py | |
| getDistances.py | |
| getSymmetry.py | |
| overlayMaps.py | |
| rotateMap.py | |
| useDatabase.py | |
| ▼ python3 | |
| buildDatabase.py | |
| getDistances.py | |
| getSymmetry.py | |
| overlayMaps.py | |
| rotateMap.py | |
| useDatabase.py | |
| buildDatabase.cpp | |
| getDatabaseDistances.cpp | |
| getDistances.cpp | This is an example code which shows how to use the ProSHADE library to obtain the distances between the first and any other files |
| getSymmetry.cpp | |
| overlayMaps.cpp | |
| rotateMap.cpp | |
| ▼ mapSearch | |
| mapSearch.cpp | This is the ProSHADE library based map searching executable |
| ▼ proshade | |
| ProSHADE.cpp | This file contains the constructors, destructors and other general functions intended to be used by the user |
| ProSHADE.h | The main header file containing all declarations the user of the library needs |
| ProSHADE_clipper.cpp | This file contains the function definitions for all functions interfacing clipper and processing the data from it |
| ProSHADE_descriptors.cpp | This file contains all the functions for computing and pre-computing the three shape descriptors |
| ProSHADE_files.cpp | This source file contains function and globals required for platform-independent file detection |
| ProSHADE_files.h | This header file contains function and globals required for platform-independent file detection |
| ProSHADE_internal.cpp | |
| ProSHADE_internal.h | The main header file containing all declarations for the innter workings of the library |
| ProSHADE_lapack.cpp | This file contains all the functions needed to access LAPACK library for linear algebra computations |
| ProSHADE_legendre.h | This file contains all the functions related to computing the Gauss-Legendre integration variables |
| ProSHADE_misc.h | This file contains the ProSHADE_internal_misc namespace and its miscellaneous functions |
| ProSHADE_rvapi.h | |
| ProSHADE_saveLoad.cpp | This file contains functions required for saving and reading from the database of structures |
| ProSHADE_SO3transform.cpp | This file contains functions relating to the SO3 transform and symmetry detection in general |
| ProSHADE_spharmonickit.cpp | This file contains all the functions related to computing the spherical harmonics decomposition |
| ProSHADE_version.h | |
| ProSHADE_wigner.cpp | This file contains the functions required to compute Wigner D matrices for rotation in spherical harmonics space |
| ▼ python | |
| rvapi_interface.h |