Access to more databases

OpenChemistry / avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

https://two.avogadro.cc/

BSD 3-Clause "New" or "Revised" License

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Access to more databases #1484

Open ghutchis opened 7 months ago

ghutchis commented 7 months ago

There are a lot of possible databases beyond PQR and PDB:

[ ] Materials Project
[ ] PubChemQC http://pccdb.org/
[ ] Crystallographic Open Database
[ ] ZINC
[ ] MOF database

Maybe also (for those with access)

[ ] WebCSD (https://www.ccdc.cam.ac.uk/structures/)

avo-bot commented 6 months ago

This issue has been mentioned on Avogadro Discussion. There might be relevant details there:

https://discuss.avogadro.cc/t/research-cheminformatics-or-statistics-to-enhance-functionality-of-avogadro/5153/2