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  • rdkit sdf for ccd

rdkit sdf for ccd · Changes

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Update rdkit sdf for ccd authored May 28, 2017 by Oliver Smart's avatar Oliver Smart
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rdkit-sdf-for-ccd.md
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# Development documentation: use RDKit to write sdf file for PDB CCD
*28 May 2017*
* previous work [RDKit molecule from PDB CCD definition](rdkit-from-ccd) now extend to write sdf files.
* start with a stub implementation and unit tests
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* start with a stub implementation and unit tests [Commit 5773ff0e](https://gitlab.com/pdbe/ccd_utils/commit/5773ff0e2b3f560ad344777452a567a88e57cf45)
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