Hi David.

It's me again.

Last time, you gave me the s/w and cmd. 

It's works well when I use the sample I gave you, and some other XML files.

But for some XML files, it still do not work well.

                  XML 
file: 
https://drive.google.com/file/d/0B5i2NDdAgrJ3bDY4ZFR0M2VOUlU/view?usp=sharing


When I executed this test sample (test2.pep.xml.xml) with the cmd you told 
me

                "PeptideProphetParser.exe test2.pep.xml.xml NONPARAM 
DECOY=XXX DECOYPROBS MINPROB=0 CLEVEL=2 ACCMASS PPM"

I received msg as follows: (detail: I added captured error msg file)

----
KDModel.cpp, Line 144
Expression: idx < posprobs_ -> size()

This application has requested the Runtime to terminate it in an unusual 
way.
Please contact the application's support team for more information
----

Would you please tell me what happened to this XML file?

Thanks a lot.

Honglan Li



2016년 3월 28일 월요일 오전 8시 52분 13초 UTC+9, Honglan Li 님의 말:
>
> Thank you very much for your help, David.
>
> It works well now.
>
> Best wishes,
> Honglan Li
>
>
> 2016년 3월 26일 토요일 오전 2시 33분 59초 UTC+9, David Shteynberg 님의 말:
>>
>> Hello Honglan,
>>
>> I was unable to replicate the error on my system, however, I have tested 
>> that this command works on a more recently compiled version of 
>> PeptideProphet.  You can download the binary here 
>> https://dl.dropboxusercontent.com/u/21286225/PeptideProphetParser.exe 
>> and run as follows
>>
>> PeptideProphetParser.exe test.pep.xml NONPARAM DECOY=XXX DECOYPROBS 
>> MINPROB=0 CLEVEL=2 ACCMASS PPM
>>
>>
>> I had to set a fairly high CLEVEL value on this data since MSGF+ suffers 
>> from scoring highly of some decoys and is not always accurate at the 
>> critical 1% error.  The WARNING message in the new code has been updated to 
>> reflect this problem.
>>
>> Cheers,
>> -David
>>
>>
>> On Thu, Mar 24, 2016 at 8:21 PM, Honglan Li <[email protected]> wrote:
>>
>>> Thanks for your quick reply. 
>>>>
>>>
>>>    I tried the command you told me, but it stll didn't work well.
>>>    
>>>    The warning msg is "*The discriminant function for MSGFPL is not yet 
>>> complete" *
>>>
>>>    How to fix it ?
>>>
>>>    
>>>   *cmd*: 
>>>
>>>   xinteract -OPd -p0 -dXXX_ *.xml
>>>
>>>
>>>
>>>  *Error msg I received*
>>>
>>>   ----
>>> running: "/usr/local/tpp/bin/DatabaseParser 'interact.pep.xml'"
>>> command completed in 0 sec 
>>>
>>> running: "/usr/local/tpp/bin/RefreshParser 'interact.pep.xml' 
>>> 'C:\Users\JONGHUN\Desktop\MSGFPlus\C-25fmol\C-25fmol-R1\1. 
>>> CYH\uniprot_C+H+Y+48.revCat.fasta'"
>>>   - Building Commentz-Walter keyword tree...  - Searching the 
>>> tree...opening "C:\Users\JONGHUN\Desktop\MSGFPlus\C-25fmol\C-25fmol-R1\1. 
>>> CYH\uniprot_C+H+Y+48.revCat.fasta" as 
>>> "/home/mllab/hllee/uniprot_C+H+Y+48.revCat.fasta"
>>>
>>>   - Linking duplicate entries...  - Printing results...
>>>
>>> command completed in 11 sec 
>>>
>>> running: "/usr/local/tpp/bin/PeptideProphetParser 'interact.pep.xml' 
>>> NONPARAM DECOYPROBS MINPROB=0 DECOY=XXX_"
>>> Using Decoy Label "XXX_".
>>> Decoy Probabilities will be reported.
>>> Using non-parametric distributions
>>>  (MS-GF+) (minprob 0)
>>> WARNING!! *The discriminant function for MSGFPL is not yet complete.* 
>>>  It is presented here to help facilitate trial and discussion.  Reliance on 
>>> this code for publishable scientific results is not recommended.
>>> init with MS-GF+ trypsin 
>>> Segmentation fault (core dumped)
>>>
>>> command "/usr/local/tpp/bin/PeptideProphetParser 'interact.pep.xml' 
>>> NONPARAM DECOYPROBS MINPROB=0 DECOY=XXX_" exited with non-zero exit code: 
>>> 35584
>>> QUIT - the job is incomplete
>>>
>>> -----
>>>
>>> *XML format per PSM: (file: *
>>> https://drive.google.com/file/d/0B5i2NDdAgrJ3Y2diWDAzVHBQSm8/view?usp=sharing
>>> )
>>>
>>>   <spectrum_query 
>>> spectrum="C:\Users\JONGHUN\Desktop\MSGFPlus\C-25fmol\C-25fmol-R1\1. 
>>> CYH\C-25fmol-R1_QEx2_000090.51174.51174.4" spectrumNativeID="index=51174" 
>>> start_scan="51174" end_scan="51174" 
>>> precursor_neutral_mass="3972.990669523105" assumed_charge="4" index="1">
>>>       <search_result>
>>>         <search_hit hit_rank="1" 
>>> peptide="VGNVGEDDAIPEVSHAGDVSTTLQVVNELLKDETVAPR" peptide_prev_aa="R" 
>>> peptide_next_aa="F" protein="sp|P16521|EF3A_YEAST" num_tot_proteins="1" 
>>> calc_neutral_pep_mass="3972.99140194498" massdiff="7.32421875e-04" 
>>> protein_descr="sp|P16521|EF3A_YEAST Elongation factor 3A OS=Saccharomyces 
>>> cerevisiae (strain ATCC 204508 / S288c) GN=YEF3 PE=1 SV=4" num_tol_term="2" 
>>> num_missed_cleavages="1">
>>>           <search_score name="raw" value="269"/>
>>>           <search_score name="denovo" value="289"/>
>>>           <search_score name="SpecEValue" 
>>> value="2.8337685502588284E-39"/>
>>>           <search_score name="EValue" value="1.2856572993111488E-31"/>
>>>           <search_score name="IsotopeError" value="0"/>
>>>         </search_hit>
>>>       </search_result>
>>>     </spectrum_query>
>>>
>>>
>>>
>>>
>>>
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>>
>>

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