![]() On line 10, the path to the CMakeLists.txt file is required in order to allow automatic detection and installation of some of the dependencies. A simplest way of obtaining this path is to type 'which cmake' into the shell. Please make sure the required version is installed and provide path to its executable. However, the installation of the python modules does require CMake version of at least 3.1. The CMake version need to be higher than 2.6 in order to allow the installation at all. On line 8, the path to the CMake executable is required. ![]() Where the user is required to change to following lines with the appropriate paths on machine on which the installation is taking place. The install.sh script should appear as follows: In the Build folder, there is a shell script called install.sh, which needs to be edited by the user in order to supply the required paths to the installation procedure. To make the installation as simple as possible, the ProSHADE folder the user obtains from the CCP4's bazaar repository contains a sub-folder called Build. The following section provides information about how this can be done manually. However, due to the dependence of the ProSHADE software on libraries from other developers, the installation needs to be suppied with paths to specific files, some of which may beed to be installed prior to the installation of the ProSHADE software. The installation of the ProSHADE software should be done using the CMake system. For more details about the functionalities, see below. For help on how the executable should be used, refer to the -h option of it. The executable implemented in the bin.cpp file then allows easy access to these functionalities without the need for library linking, while the python modules provide easy access to the functionality from the python language. The library implements functions for computing shape-wise structural distances between pairs of molecules, detecting symmetry over the centre of mass of a single structure, map re-sizing as well as matching density maps and PDB coordinate files into one another. ![]() ProSHADE is a C++ language library and an associated tool providing functionalities for working with structural biology molecular structures.
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