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PNNL-Comp-Mass-Spec / Informed-Proteomics

Top down / bottom up, MS/MS analysis tool for DDA and DIA mass spectrometry data
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Hex(2) treated as an unknown modification #3

Closed detritus closed 6 years ago

detritus commented 6 years ago

Lactosylation / Hex(2) is treated as an unknown modification: http://www.unimod.org/modifications_view.php?editid1=512

C12H20O10,RK,opt,any,Hex(2) # Lactostylation

Current output: `

`

Expected output: `

`

FarmGeek4Life commented 6 years ago

This appears to be a name parsing issue. I need to update the library used to output the mzid file to properly handle the names when there is punctuation. For now, you should be able to get correct output in the mzid file by using "Hex2" instead of "Hex(2)"

detritus commented 6 years ago

This also appears not to work: `

  </Modification>`

`

    </SearchModification>`
FarmGeek4Life commented 6 years ago

The next release should fix this problem; also, thinking about the code I changed yesterday, using "Hex2" wouldn't work, because the first thing the code did was remove leading and trailing underscores... The next release will have a check for the name as an exact match, as it appears in the UniMod database.

FarmGeek4Life commented 6 years ago

The new Latest Release of 1.0.6510 should take care of this issue.