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## Project aims
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* The current process(es) to produce the data for PDBeChem pages is out of date and needs replacement. This project will produce software to process the PDB chemical component definitions file, producing sdf file (aka mol), pdb files and a 2D svg image (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 thos on the PDBeChem ftp area:
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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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## 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. |