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deborahharrus (Deborah Harrus) · GitHub

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deborahharrus/README.md

Hi, I'm Deborah 🐝

I contribute to the development of the OneDep deposition and annotation system at the wwPDB.

I develop tools for handling and validating mmCIF/PDBx structural data formats to improve interoperability and data quality across the ecosystem, including:

I maintain tiny_tools: small, focused Python utilities built for simplicity and reusability.

I also contribute to data curation and quality efforts for ChEBI.

📍 Affiliation: EMBL-EBI / PDBe

📫 How to reach me:
LinkedIn
ORCID

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  1. PDBeurope/mmcif-metadata-import PDBeurope/mmcif-metadata-import Public

    Import metadata from mmCIF files into metadata-only files, or merge them into existing models

    Python 3 1

  2. wwpdb-ccp4-ccd-comparison wwpdb-ccp4-ccd-comparison Public

    Python toolkit for comparing Chemical Component Dictionary (CCD) files between wwPDB CCD and CCP4 Monomer Library. Identifies differences in names, types, atoms, bonds, and descriptors, tracks modi…

    Python

  3. wwPDB/py-adding_stats_to_mmcif wwPDB/py-adding_stats_to_mmcif Public

    Python 1 1

  4. ebi-chebi/ChEBI ebi-chebi/ChEBI Public

    Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds.

    51 11

  5. tiny_tools tiny_tools Public

    Deborah's tiny python tools

    Python

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