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# Project Improve PDBe Chemical Components backend infrastructure using RDKit
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24 May 2017
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## Project aims
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* The current process(es) to produce the data for [PDBeChem](http://www.ebi.ac.uk/pdbe-srv/pdbechem/) pages is out of date and needs replacement. This project will produce software to process the [wwPDB Chemical Component Dictionary](https://www.wwpdb.org/data/ccd) into individual PDB chemical component definitions files and then processing these into sdf file (aka mol), pdb files and 2D svg images (possibly). A separate tool will produce the list of chemical fragments in each of the chemical components. The will part of the ccd_utils project https://gitlab.com/pdbe/ccd_utils
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* The project should produce files to replace those in the PDBeChem ftp area:
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* Description http://ftp.ebi.ac.uk/pub/databases/msd/pdbechem/readme.htm
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* browse files: http://ftp.ebi.ac.uk/pub/databases/msd/pdbechem/
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## Placement student's work
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### Guidelines for work
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* The project will follow test driven development wherever possible
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* git commits should be atomic and very frequent (one thing per commit).
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* commit messages should briefly describe what in the first line and then go on to explain **why** and **what tests** were done.
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* All python is to be PEP8 compliant
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* It would be best to use pycharm.
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* Documentation related to the project should use a subpage of this wiki.
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### check list
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* to be written
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content moved to milestone %1
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## Development documentation
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* [RDKit molecule from PDB CCD definition](rdkit-from-ccd)
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