libchemistry-opensmiles-perl

OpenSMILES format reader and writer

Description

Chemistry::OpenSMILES provides support for SMILES chemical identifiers conforming to OpenSMILES v1.0 specification.

Chemistry::OpenSMILES::Parser reads in SMILES strings and returns them parsed to arrays of Graph::Undirected objects. Each atom is represented by a hash.

Chemistry::OpenSMILES::Writer performs the inverse operation. Generated SMILES strings are by no means optimal.

Upload more screenshots

Please help extend the collection of screenshots. Just make a screenshot and upload it here. You don't need to register or anything.

Upload a screenshot

Hint: upload an image here from your clipboard with Ctrl-V


Homepage

https://metacpan.org/release/Chemistry-OpenSMILES


Install this software package

If the package is available for the distribution you are currently using on your computer then install the software by clicking on…

Install libchemistry-opensmiles-perl

Cookies help us deliver our services. By using our services, you agree to our use of cookies. Learn more