-
Notifications
You must be signed in to change notification settings - Fork 8
Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)
License
cod-developers/cod-tools
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
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-22.04/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 writable 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: COD_TOOLS_PREFIX=/usr/local/install/cod-tools export PATH=${COD_TOOLS_PREFIX}/bin:${PATH} export PERL5LIB=${COD_TOOLS_PREFIX}/lib/perl5:${PERL5LIB} export PYTHONPATH=${COD_TOOLS_PREFIX}/usr/local/lib/python${PYTHON_VERSION}/dist-packages:${PYTHONPATH} Where "${PYTHON_VERSION}" is the Python3 version in the X.Y format (e.g. '3.10'). On Debian/Ubuntu systems this version can be found by executing the following command: py3versions --default --version For distributions based on Ubuntu 22.04 the PERL5LIB variable should be further modified to circumvent a bug in the libmath-bigint-gmp-perl software package: export PERL5LIB=/usr/share/perl/5.34:${PERL5LIB} 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
About
Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)
Resources
License
Stars
Watchers
Forks
Packages 0
No packages published