* Package name : python-openclatura Version : 0.3.1+ds Upstream Author : lamalab-org * URL : https://github.com/lamalab-org/openclatura * License : Expat Programming Lang: Python Description : deterministic converter from SMILES to IUPAC chemical name openclatura names molecules the way the IUPAC Blue Book (2013) says to. It walks the RDKit molecular graph, perceives functional groups and ring systems, picks the principal parent, numbers it, and assembles the substitutive name. There is no model and no lookup table: the same structure always yields the same name, and every choice along the way is recorded in a decision trace, so the why of a name is recoverable and not just the what. Remark: This package is to be maintained with Debian Python Team at https://salsa.debian.org/python-team/packages/python-openclatura