[Debichem-devel] Bug#994288: Bug#994288: libinchi1: feature request, add InChI trust, reference executable
Andrius Merkys
merkys at debian.org
Thu Sep 16 06:33:45 BST 2021
X-Debbugs-CC: dleidert at debian.org
Hi Norwid,
On 2021-09-15 10:58, Norwid Behrnd wrote:
> to assign InChI and InChIKey to molecular structures described in a .sdf file,
> I suggest the addition of InChi trust's reference implementation into the
> applications curated by debichem. This would allow a local generation of these
> descriptors without need to access a public third party web page (protection of
> intellectual property) and independently of libraries like OpenBabel/RDKit (and
> their implementation of InChI/InChIKey).
Am I right to assume you are requesting here for the 'inchi_main'
executable being included in Debian packages for inchi?
Best,
Andrius
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