Spectrast.usermods

From SPCTools

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Revision as of 06:16, 19 January 2010

# spectrast.usermods
# This file should contain specifications of amino acid modifications of peptides. Specifications are of the form <amino acid>[<tag>]|<mass change>|<mod type>, e.g.

M[foo]|+12.34567|MyMod

# Note that tag and mod type must not start with a number, and should not contain space or special characters

# Leave blank the [<tag>] unless you have a strong reason to do so. SpectraST will construct one that conforms to TPP convention. Note that some components of TPP may fail if you specify your own tag. e.g.

C|+57.021464|Carbamidomethyl

# Leave blank the mod type if you don’t know a good name for it, or don’t know if the mod is already encoded in SpectraST.

M|+16|

# SpectraST should recognize this is oxidation and use the accurate mass (+15.99491) accordingly.