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Extend UnlocalizedModification to represent complicated mods as set of simpler ones #398

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acesnik opened this issue May 22, 2017 · 1 comment

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@acesnik
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acesnik commented May 22, 2017

This would allow transitions from proteoforms identified with ET multimod sets that remove one PTM (e.g. dimethyl as {methyl, methyl} could have a transition -14 Da that removes a methyl).

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acesnik commented Jan 31, 2018

This is somewhat complicated:

  • Right now, we can only remove Unlocalized PTMs with the same mass... Therefore, if have a -14 Da transition from a proteoform with a dimethyl annotation (+28 Da), it does not recognize that it should remove one of the existing methyl groups.
  • Representing this is tough because you have to represent the relationship to other PTMs in the list and number of those PTMs. I think this could best be done by making a new tag in the PTM lists in mzLib that draws the connection to other PTMs in the list with a count of the number of them.

@acesnik acesnik added this to the 0.4.0 End-to-end processing milestone Jan 31, 2018
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