Expand methods of uploading/entering geometry

OpenChemistry / 42

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Expand methods of uploading/entering geometry #4

Open cryos opened 5 years ago

cryos commented 5 years ago

Adding new API to input SMILES, InChI, upload geometry from the single page web interface, or from an Avogadro plugin.

cryos commented 5 years ago

We now have InChI, SMILES, and maybe CJSON. We need to do a little more thinking about asynchronous generation of 3D geometry, etc. Single page app/Jupyter should offer a method of uploading a geometry/molecule, returning an ID.