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I just updated pyteomics from 4.7.2 to 4.7.4 and now one of my tests fail when calculating the mass for `acetyl-KING` with the error 'Unknown label: -KING'
modification acetyl is configured and s…
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Dear Jakob,
I want to use the pocket-optimizer package to optimise my transaminases. I would like to ask what should I do with my coenzyme PMP, I think deleting the PMP directly should have a bad e…
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From @cmungall : Only just saw this.
I would have said use the species specific proteins with IDs from uniprot
- clear SOP
- uniprot identifiers are well understood, no need for an additional l…
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Hi,
It seems you can only define fixed modifications with calculateFragments().
Am I right? If not, how to do it?
I think a feature like this could be useful.
Posible ways of implementing this are:
1)…
adder updated
6 years ago
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Hey all,
1. I think it is fair to say that this ProForma term is valid:
`SEQVK[Acetyl|Unimod:1]ENCE`
2. So, given that, is the following ProForma term valid?
`SEQVK[Acetyl|Methyl]ENCE`
3. W…
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Dear,
I'm trying get FRCMOD file from TOP file (Amber). However, I'm getting this message "Unequal dihedral types defined between...". But, when I use "checkValidity" command, I get "...parm7 looks O…
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本課題では、WURCSに関する質問について、一問一答形式で回答していく。
まずは、2016年12月のPhylからの質問について回答する。
This issue summarize Q&As about WURCS.
At first, questions from Phyl at December 2016 will be posted.
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Hello everyone,
I've been using ms-gf+ for many years without any problem. However, recently on tmt data it's staying stuck at 0%.
below is a log example (running for 2 hours with 0% progress):
M…
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Hi everyone,
as MASST is about to become the BLAST analog for mass-spec based metabolomics, I think the analog search is of utmost value.
However, so far the analog search is limited to 100 Da max…
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[feature request]
I was wondering if there is any desire to implement "adding the annotated ions on the peptide sequence string". "P]E]P]TIDEP[I[N[K" kind of deal ...
like it is show in the foll…