Oded,

I didn't spend any time looking at the X!Tandem output at all.  If there
are still problems with X!Tandem and XPRESS, let me know and I'll see if I
can fix them.

Jimmy

On Tue, Sep 26, 2017 at 3:43 AM, Oded <oded.kleif...@gmail.com> wrote:

> Thank you all. From a quick check it seems that things are working well
> now with Comet.
> With X!tandem as I mentioned in my orignal post the heavy N-term is
> annotated just as the mass difference relative to the light plus the amino
> acid mass and therefore is different for each amino acid but I think XPRESS
> ratios are correct.
> Thanks again,
> Oded
>
> On Friday, September 22, 2017 at 7:22:39 PM UTC+3, David Shteynberg wrote:
>>
>> Yes this release is from code revision 7625 which includes Jimmy's patch.
>>
>> -David
>>
>> On Fri, Sep 22, 2017 at 8:07 AM, Jimmy Eng <jke...@gmail.com> wrote:
>>
>>> Alejandro,
>>>
>>> I don't know what made it into the 5.1.0-rc1 binary so I can't answer
>>> that question.  Someone at ISB will hopefully be able to chime in.
>>>
>>> On Fri, Sep 22, 2017 at 2:43 AM, Alejandro <agome...@gmail.com> wrote:
>>>
>>>> Hi Jimmy,
>>>>
>>>> Is this fix included in the 5.1 release candidate that is available at
>>>> the sourceforge Sashimi page? TPP_Setup_5.1.0-rc1.exe
>>>>
>>>> Best,
>>>>
>>>> Alejandro
>>>>
>>>> On Wednesday, September 6, 2017 at 10:37:10 PM UTC+2, Jimmy Eng wrote:
>>>>>
>>>>> Oded,
>>>>>
>>>>> I just checked in a fix for the issue.  It will hopefully be available
>>>>> in the next TPP 5.1.0 release whenever that happens.
>>>>>
>>>>> Jimmy
>>>>>
>>>>> On Thu, Aug 31, 2017 at 7:00 AM, Oded <oded.k...@gmail.com> wrote:
>>>>>
>>>>>> Hi there,
>>>>>> I am trying to do run a quantitative analysis of dimethylated samples
>>>>>> labelled on N-term and lysine (using either trypsin or ArgC) using TPP 
>>>>>> ver5
>>>>>> on Windows.
>>>>>> I ran X!Tandem or Comet searches using fixed light di-Met
>>>>>> modification of Lys and N-term (+28.03) and the Heavy-Light delta (6.031)
>>>>>> as variable modifications as explained here, and I used successfully
>>>>>> before.
>>>>>> Quantification with XPRESS run without any error but the ratio
>>>>>> calculation seems to be correct only for peptides that contain a lysine
>>>>>> (regardless if they were heavy or light). The ratio calculated for 
>>>>>> peptides
>>>>>> that do not contain lysines is correct only for the light labelled ones 
>>>>>> but
>>>>>> for the heavy ones the program seems to consider them as light peptides 
>>>>>> and
>>>>>> searches for peaks that are +6 heavier in order to calculate the ratio.
>>>>>> For example if we got the peptide AAAHTSPR  that was identified in
>>>>>> the light dimethylation on the N-term, MH= 838.4530) the program will 
>>>>>> look
>>>>>> for the heavy couple at the right place (MH=844.4848) but if the same
>>>>>> peptide was identified in its heavy form (MH 838.4530) it seems like the
>>>>>> program is looking for the heavy partner at 844.4848.
>>>>>> Another minor (?) comment is that running such searches with X!tandem
>>>>>> seems to mark the heavy N-term dimethylation in a different way than it
>>>>>> used to before (and currently appear in Comet pepxml) add looks like 
>>>>>> this:
>>>>>> n7.04A99.07TAGDTHLGGEDFDNR (instead of n35.07
>>>>>> <http://www.ncbi.nlm.nih.gov/blast/Blast.cgi?CMD=Web&LAYOUT=TwoWindows&AUTO_FORMAT=Semiauto&ALIGNMENTS=50&ALIGNMENT_VIEW=Pairwise&CDD_SEARCH=on&CLIENT=web&COMPOSITION_BASED_STATISTICS=on&DATABASE=nr&DESCRIPTIONS=100&ENTREZ_QUERY=%28none%29&EXPECT=1000&FILTER=L&FORMAT_OBJECT=Alignment&FORMAT_TYPE=HTML&I_THRESH=0.005&MATRIX_NAME=BLOSUM62&NCBI_GI=on&PAGE=Proteins&PROGRAM=blastp&SERVICE=plain&SET_DEFAULTS.x=41&SET_DEFAULTS.y=5&SHOW_OVERVIEW=on&END_OF_HTTPGET=Yes&SHOW_LINKOUT=yes&QUERY=ATAGDTHLGGEDFDNR>
>>>>>> ATAGDTHLGGEDFDNR.
>>>>>> <http://www.ncbi.nlm.nih.gov/blast/Blast.cgi?CMD=Web&LAYOUT=TwoWindows&AUTO_FORMAT=Semiauto&ALIGNMENTS=50&ALIGNMENT_VIEW=Pairwise&CDD_SEARCH=on&CLIENT=web&COMPOSITION_BASED_STATISTICS=on&DATABASE=nr&DESCRIPTIONS=100&ENTREZ_QUERY=%28none%29&EXPECT=1000&FILTER=L&FORMAT_OBJECT=Alignment&FORMAT_TYPE=HTML&I_THRESH=0.005&MATRIX_NAME=BLOSUM62&NCBI_GI=on&PAGE=Proteins&PROGRAM=blastp&SERVICE=plain&SET_DEFAULTS.x=41&SET_DEFAULTS.y=5&SHOW_OVERVIEW=on&END_OF_HTTPGET=Yes&SHOW_LINKOUT=yes&QUERY=ATAGDTHLGGEDFDNR>
>>>>>> I hope you can advise.
>>>>>> Thanks
>>>>>> Oded
>>>>>>
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