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ICHPC / hpc-repo

BSD 3-Clause "New" or "Revised" License
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Reaction InChI #18

Open hrzepa opened 7 years ago

hrzepa commented 7 years ago

The source codes for RInChI has just been released for public use. http://www.inchi-trust.org/downloads/ It needs compiling (no binaries provided!).

It would use as input a "Reaction molfile" (.rxn) file, similar to the chemdraw .cdx or .cdxml. The MIME type would be chemical/x-mdl-rxn (.rxn).

Can we investigate adding this to the metadata generation workflows?

mj-harvey commented 7 years ago

That mimetype's defined now. want to try uploading one to see if it's accepted?