Custom dictionary support is available in the PDBe mmCIF validator:
VS Code: set dictionary path in settings
Python script: pass dictionary path via CLI
#mmCIF #PDB #Bioinformatics #StructuralBiology
Additionally, users can #submit their protein-ligand complexes in #PDB or #mmCIF formats. Results are visualised in our server using #Chart.js and #3Dmol.js, offering data about #ligand #superposition, #contacts, #conservation, missense #variation, solvent #accessibility and likelihood of #function.
After years of procrastinating I finally got around to publishing my Python module for reading mmCIF files.
Check it out: https://pypi.org/project/mmcifbuddy/ and feel free to let me know how it goes!
#crystallography #structuralbiology #mmcif
cc: @strucbio @xtaldave
