Number the atoms in a molecule in a unique way
16.60 KB
built 2026-10-16 17:20:02 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
16 totalRequires15
- coreutils
- make
- perl(Carp)
- perl(Exporter)
- perl(ExtUtils::MakeMaker)
- perl(Math::BigInt)
- perl(Test::More)
- perl(Test::Pod)
- perl(base)
- perl(strict)
- perl(warnings)
- perl-generators
- perl-interpreter
- rpmlib(CompressedFileNames) <= 3.0.4-1
- rpmlib(FileDigests) <= 4.6.0-1
Provides1
- perl-Chemistry-Canonicalize = 0.11-4.fc45
ObsoletesNo Obsoletes
ConflictsNo Conflicts
RecommendsNo Recommends
SuggestsNo Suggests
SupplementsNo Supplements
EnhancesNo Enhances
Files
2Name  |
Size |
|---|---|
| Chemistry-Canonicalize-0.11.tar.gz | 4.79 KB |
| perl-Chemistry-Canonicalize.spec | 2.55 KB |
Files 1–2 of 2
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