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mobiusklein / glypy

Glycan Analysis and Glycoinformatics Library for Python
Apache License 2.0
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Add better position support to `iupac` #2

Closed mobiusklein closed 9 years ago

mobiusklein commented 9 years ago

The iupac parser/genrator is implemented with the same assumptions about coordinates as linear_code, which are not appropriate.

mobiusklein commented 9 years ago

iupac now generates more verbose code with explicit coordinate information for substituents and modifications. It can handle complex glycan structures, but does not support implicit position rules for things like the location of deoxidation on Fucose or the position of the n-acetyl group in HexNAc and NeuAc.