Glyles

Latest version: v0.5.11

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0.5.20.5.9

Implementation of a CLI for GlyLES including debugging

Added

- CLI for GlyLES

0.5.1

Release for publication in Journal of Cheminformatics

Added

- Incorporate for networkx 3.0 use in glycowork

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0.5.0

Release for publication in Journal of Cheminformatics

Added

- ?,?-Anhydro configurations of glycan implemented for structural representation
- Open-form representations for "-aric", "-onic", "-ulosonic", and "-ulosaric" glycans
- Example notebooks and documentation on [ReadTheDocs](https://glyles.readthedocs.io/en/latest/).
- 99% of the structures in the glycowork database can be converted (if they are convertible).

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0.4.2

Fixed

- Bug fixed

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0.4.1

Fixed

- Patch for full representation mode of glycans
- Logging levels based on python logging module introduced instead of own logging mix

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0.4.0

Added

- Ternary and Quarternary branching is now possible. Monomers may have up to four children in the tree-like structure
of a glycan.
- More tests for the new functionality
- Support for two new IUPAC representations (full and simplified according to
[SNFG](https://www.ncbi.nlm.nih.gov/glycans/snfg.html)) beside the current IUPAC-condensed
- Now supporting most of the functional groups in
[CSDB](http://csdb.glycoscience.ru/snfgedit/snfgedit.html?expert=1&destination=structure) and
[glycowork](https://pypi.org/project/glycowork/).

Changed

- Monomers only in RDKit representation possible. NetworkX-implementation has been removed
- Adding of functional groups completely reworked
- Comments and code style improved, also a bit of a cleanup
- Default output-type is ``return`` instead of commandline prints

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