COD CIF parser
pip install pycodcif==3.0.1
cod-tools -- a set of tools for CIF manipulation. INSTALLATION Before the installation of cod-tools, dependencies have to be installed. Dependency installers for some operating systems are provided with the cod-tools, under dependencies/, and can be executed as follows: sh dependencies/Ubuntu-18.04/install.sh To install cod-tools from a clean distribution, the following steps have to be executed: make all make check make install PREFIX=/usr/local/install/cod-tools Variable 'PREFIX' may be set to any preferred location. ENVIRONMENT SETUP After a successful installation, several environment variables should be updated to make the installed programs and libraries automatically discoverable by the system. This can be done by executing the following commands: export PATH=${PREFIX}/bin:${PATH} export PERL5LIB=${PREFIX}/lib/perl5/:${PERL5LIB} export PYTHONPATH=${PREFIX}/usr/local/lib/python${PYTHON_VERSION}/dist-packages:${PYTHONPATH} Where "${PYTHON_VERSION}" is the Python3 version in the X.Y format (i.e. '3.7'). On Debian/Ubuntu systems this version can be found by executing the following command: py3versions --default --version Note, that the "${PREFIX}" variable should be replaced with the location that was specified during the installation (i.e. "/usr/local/install/cod-tools"). The provided commands can also be copied to the ~/.bashrc file to automatically execute them each time a new shell is started. BUGS If you find bugs in cod-tools or have any feedback, please contact us at cod-bugs@ibt.lt