Chemistry-OpenSMILES-0.4.0

Andrius Merkys /

Changes for version 0.4.0 - 2021-01-11

Adding Chemistry::OpenSMILES::Writer, implementing a SMILES writer for the data structures built by Chemistry::OpenSMILES::Parser.
Converting 'charge' atom field to integer.
Exporting Chemistry::OpenSMILES::is_aromatic().

OpenSMILES format reader and writer

in lib/Chemistry/OpenSMILES/Writer.pm

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

cpanm Chemistry::OpenSMILES

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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