pygoslin release 2.2.0

v2.2.0

version 2.2.0

pygoslin release 1.1.2

Changelog

Changes in 1.1.2

• This release implements correct handling of hydroxyls and hydroxyl modifications within the SwissLipids, HMDB and LIPID MAPS grammars.

Support for additional modifications will be added once the lipidomics standards initiative (LSI) has release an update to the recommended nomenclature.

pygoslin release 1.1.0

This release adds support for mass and sum formula calculation for most lipid classes (please check the lipid class table lipid-list.csv) based on the neutral lipid molecule. It also adds support for adducts within the Goslin and Goslin fragments grammars, currently limited to those supported by LipidCreator. Thus, normalized lipid shorthand notation names, as provided after translation with Goslin, can now be combined with an adduct. Please note that adduct charges need to be explicit, thus '[M+H]+' needs to be provided as '[M+H]1+'. Adducts are also factored into the mass and sum formula calculations.