Number the atoms in a molecule in a unique way
built by guoguo
completed Fri, 16 Oct 2026 17:20:21 UTC
Description
This module provides functions for "canonicalizing" a molecular
structure; that is, to number the atoms in a unique way regardless of
the input order.
The canonicalization algorithm is based on: Weininger, et. al., J. Chem.
Inf. Comp. Sci. 29[2], 97-101 (1989)
This module is part of the PerlMol project.
RPMs
2 files, 2 archessrc
noarch
Logs
noarch
Changelog
* Thu Jul 16 2026 Fedora Release Engineering <releng@fedoraproject.org> - 0.11-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_45_Mass_Rebuild * Thu May 21 2026 Jitka Plesnikova <jplesnik@redhat.com> - 0.11-3 - Update list of dependencies * Sat Jan 17 2026 Fedora Release Engineering <releng@fedoraproject.org> - 0.11-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_44_Mass_Rebuild * Thu Dec 04 2025 Dominik 'Rathann' Mierzejewski <dominik@greysector.net> - 0.11-1 - initial package (resolves rhbz#2417811)