Chemistry-OpenSMILES

Andrius Merkys /

Chemistry-OpenSMILES-0.6.0

MERKYS Andrius Merkys

Changes for version 0.6.0 - 2021-10-18

Allowing multi-digit hydrogen counts if enabled via parser option.
Standardizing chiral markers for allenal carbons.
Not standardizing chiral markers in raw output.
Reporting '@' and '@@' chiralities with other than 4 neighbours as they cannot be processed right now.

Modules

Chemistry::OpenSMILES

OpenSMILES format reader and writer

Provides

Chemistry::OpenSMILES::Writer

in lib/Chemistry/OpenSMILES/Writer.pm

Other files

To install Chemistry::OpenSMILES, copy and paste the appropriate command in to your terminal.

cpanm

cpanm Chemistry::OpenSMILES

CPAN shell

perl -MCPAN -e shell
install Chemistry::OpenSMILES

For more information on module installation, please visit the detailed CPAN module installation guide.

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`s`	Focus search bar
`?`	Bring up this help dialog

	GitHub
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`g` `i`	go to github issues (only if github is preferred repository)

	POD
`g` `a`	Go to author
`g` `c`	Go to changes
`g` `i`	Go to issues
`g` `d`	Go to dist
`g` `r`	Go to repository/SCM
`g` `s`	Go to source
`g` `b`	Go to file browse

	Search terms
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Changes for version 0.6.0 - 2021-10-18

Modules

Provides

Other files

Module Install Instructions