Add process_components_cif script to back refactoring branch in stub form
The script process_components_cif
was the major product of the initial ccd_utils project milestone #1 %Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version that was completed in September 2017.
Project milestone #3 %refactor ccd_utils with better class structure. is to completely replace the code in the initial project but process_components_cif` is a well considered script that achieved its aims:
Script for PDBeChem backend infrastructure.
Processes the wwPDB Chemical Components Dictionary file components.cif
producing files for
http://ftp.ebi.ac.uk/pub/databases/msd/pdbechem/
To do this components.cif is split into individual PDB chemical component
definitions cif files, sdf files, pdb files and image files.
In addition creates chem_comp.xml and chem_comp.list for all components.
The unit tests test_process_components_cif_cli.py are worth updating and preserving