#1150679 ITP: python-orthonym -- Deterministic structure-to-IUPAC-name generator

#1150679#5
Date:
2026-10-12 07:27:29 UTC
From:
To:
* Package name    : python-orthonym
   Version         : 1.0.4
   Upstream Author : Kohulan Rajan, Steinbeck Lab at Friedrich Schiller
University Jena, and Beilstein-Institut zur Förderung der Chemischen
Wissenschaften
* URL             : https://github.com/Steinbeck-Lab/Orthonym
* License         : Expat
   Programming Lang: Python
   Description     : Deterministic structure-to-IUPAC-name generator

  Orthonym builds its names from the nomenclature rules of the IUPAC 2013
  recommendations, the "Blue Book". Where those rules do not yet reach a
  molecule, a wider tier ('--emit-tier') can give a general systematic
name, a
  retained name from a table or a natural-product name instead, labelled
as not
  the preferred name. The default tier declines these names; Output
tiers lists
  its exceptions. There is no neural network and no sampling: the same input
  always gives the same output.
  .
  A name is handed to OPSIN, which never saw your structure, and parsed
back.
  The structure OPSIN reads must match yours in constitution, charge and
stereo,
  so a name that leaves out or adds an atom cannot pass. The default
tier makes
  a few exceptions for names OPSIN cannot read in full: names from
exact-match
  lists (metal-complex and natural-product parent names), a few name
forms that
  OPSIN's grammar lacks or misreads, and names whose stereodescriptors OPSIN
  cannot parse (OPSIN confirms their constitution, and each descriptor is
  checked against its CIP label). '--provenance' marks each of them. The
wider
  tiers ship none of them, except the names from the exact-match lists: a
  metal-complex name, and a natural-product parent name when no verified
  systematic name is found.
  .
  A candidate that fails a check is withdrawn, and when no name is left
Orthonym
  says so instead of guessing. '--provenance' reports the tier each name
landed
  on and, in its 'verified' field, how it was checked.

Remark: This package is to be maintained with Debichem Team at
https://salsa.debian.org/debichem-team/python-orthonym