Number the atoms in a molecule in a unique way
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built 2026-10-16 17:20:09 GMT
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.
Dependencies
13 totalRequires11
- perl(Carp)
- perl(Exporter)
- perl(Math::BigInt)
- perl(base)
- perl(strict)
- perl(warnings)
- perl-libs
- rpmlib(CompressedFileNames) <= 3.0.4-1
- rpmlib(FileDigests) <= 4.6.0-1
- rpmlib(PayloadFilesHavePrefix) <= 4.0-1
- rpmlib(PayloadIsZstd) <= 5.4.18-1
Provides2
- perl(Chemistry::Canonicalize) = 0.11
- perl-Chemistry-Canonicalize = 0.11-4.fc45
ObsoletesNo Obsoletes
ConflictsNo Conflicts
RecommendsNo Recommends
SuggestsNo Suggests
SupplementsNo Supplements
EnhancesNo Enhances
Files
5
Files 1–5 of 5
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