https://bugzilla.redhat.com/show_bug.cgi?id=2417811
Bug ID: 2417811
Summary: Review Request: perl-Chemistry-Canonicalize - Number
the atoms in a molecule in a unique way
Product: Fedora
Version: rawhide
Hardware: All
OS: Linux
Status: NEW
Component: Package Review
Severity: medium
Priority: medium
Assignee: [email protected]
Reporter: [email protected]
QA Contact: [email protected]
CC: [email protected]
Target Milestone: ---
Classification: Fedora
Spec URL:
https://rathann.fedorapeople.org/review/perl-Chemistry-Canonicalize/perl-Chemistry-Canonicalize.spec
SRPM URL:
https://rathann.fedorapeople.org/review/perl-Chemistry-Canonicalize/perl-Chemistry-Canonicalize-0.11-1.fc44.src.rpm
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.
Fedora Account System Username: rathann
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