[Biopython] Glycoinformatics Library

Joshua Klein mobiusklein at gmail.com
Wed Mar 4 12:59:00 UTC 2015


Hello,

I'm working on a library for interacting with and manipulating glycomics
data.

The library can currently do the following:

   1. Read and write GlycoCT Condensed format carbohydrate structures that
   are concrete (having no variable or undefined structures)
   2. Read GlycoCTXML format carbohydrate structures that are concrete
   3. Manipulate the tree structure, adding and removing monosaccharide and
   substituent nodes, as well as altering existing nodes and edges.
   4. Calculate elemental compositions for glycan structures
   5. Create arbitrary chemical derivitizations (e.g. permethylation) of
   glycan structures
   6. Generate B, C, Y, and Z fragments from structures as observed when
   analyzing a structure with tandem mass spectrometry.
   7. Make API calls against GlycomeDB to download structures and
   annotations on the fly
   8. Perform sub-tree inclusion and maximum common substructure searches
   with fuzzy matching.
   9. Plot glycan structures using the Consortium for Functional Glycomics
   symbol nomenclature with matplotlib.
   10. Perform error tolerant name inference on monosaccharides

The library is a work in progress still. The code is hosted at
https://github.com/mobiusklein/pygly2

Is there any interest in these (or related) features in the community?

The library is self-contained, having not dependencies on Biopython
currently. Is there any interest in the community in seeing a common API
written to include with Biopython?

Thank you,
Joshua Klein
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