[Debichem-devel] Bug#994288: libinchi1: feature request, add InChI trust, reference executable

[Norwid Behrnd]

Package: libinchi1
Version: 1.03+dfsg-3
Severity: wishlist
X-Debbugs-Cc: nbehrnd at yahoo.com

Dear Maintainer,

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).

At present, InChI trust distributes the compiled program, source code, and test
data as version 1.06 by December 15th, 2020.  Their readme states:

"This library is free software; you can redistribute it  and/or modify it under
the terms of the IUPAC/InChI Trust InChI Licence No.1.0, or any later version."

https://www.inchi-trust.org/
https://www.inchi-trust.org/downloads/



-- System Information:
Debian Release: bookworm/sid
  APT prefers testing
  APT policy: (500, 'testing')
Architecture: amd64 (x86_64)
Foreign Architectures: i386

Kernel: Linux 5.10.0-8-amd64 (SMP w/4 CPU threads)
Locale: LANG=en_US.UTF-8, LC_CTYPE=en_US.UTF-8 (charmap=UTF-8), LANGUAGE not
set
Shell: /bin/sh linked to /usr/bin/dash
Init: systemd (via /run/systemd/system)
LSM: AppArmor: enabled

Versions of packages libinchi1 depends on:
ii  libc6  2.31-17

libinchi1 recommends no packages.

libinchi1 suggests no packages.