[spctools-discuss] Probability issue with ProteinProphet

2012-10-25 Thread Andreas Quandt
Dear TPP developers, I might have uncovered a bug in ProteinProphet, or at least stumbled across a result which does not make sense to me. We are using all annotated isoforms from Swissprot when we search data from human. This roughly doubles the number of human entries from 20k to 40k many

[spctools-discuss] problem running ptm-prophet

2012-01-12 Thread Andreas Quandt
dear list, i ran some tests with ptmprophetparser (tpp v4.5.1) on the output of xtandem, omssa and myrimatch after xinteract has been run on the original search engine output. unfortunately, each test produced a different error: PTMProphetParser interact_myrimatch.pep.xml Unknown file

Re: [spctools-discuss] Tandem2XML error 'std::out_of_range'

2011-11-11 Thread Andreas Quandt
on this issue you reported. Is there any additional information you can provide? Maybe the tandem file? Are there a large number of expected identifications? Thanks On Sun, Oct 23, 2011 at 3:59 AM, Andreas Quandt quandt.andr...@gmail.com mailto:quandt.andr...@gmail.com wrote

[spctools-discuss] Tandem2XML error 'std::out_of_range'

2011-10-23 Thread Andreas Quandt
dear experts, i run into problem if converting tandem results to pep.xml. i use an internal standard data set which were processed without problems using the tpp 4.4.1 however if i use the new version 4.5.0, only 2 out of 4 files are converted. maybe one of you can interpret the error message i

[spctools-discuss] tpp 4.5.0: Problem to convert mzxml to mgf with MzXML2Search

2011-10-12 Thread Andreas Quandt
dear list, i am currently evaluating the latest tpp release and came across a problem with mzxml2search which fails generating mgf files from our mzml files. mzxml2search does not report any problems during the conversion and produces a files with only the 'COM=' line. did anyone of you came

[spctools-discuss] segmentation fault when running iprophet

2011-03-31 Thread Andreas Quandt
dear list, i want to run iprophet on a single file i searched with xtandem and omssa. i tried to use iprophet on the 2 results separately but get for both of them a segmentation fault although xinteract finished successfully: xinteract (TPP v4.4 VUVUZELA rev 1, Build 201102011840 (linux))

[spctools-discuss] mzxml2search parameter question

2011-03-23 Thread Andreas Quandt
dear list, i am experimenting with the parameters of mzxml2search and was wondering about the -c option the wiki indicates following: -cn1[-n2]suggest charge(s): for scans which do not have a precursor charge (or charge range) already determined in the input file, use the user-specified charge

[spctools-discuss] parameter problem when replacing xinteract with interactparser/refreshparser/peptideprophetparser

2011-03-10 Thread Andreas Quandt
dear list, i tried to run the combination of interactparser/refreshparser/peptideprophetparser instead of xinteract. however when i try to 'emulate' the xinteract parameter -dDECOY_ -OAPdlIw with interactparser: -L7 -Etrypsin -C refreshparser: PREV_AA_LEN=1 NEXT_AA_LEN=1

[spctools-discuss] problems compiling tpp r5303 from trunk

2011-02-05 Thread Andreas Quandt
dear list, i tried to comile the r5303 from the trunk repositor but unfortunately i got compiling errors. here is what i did: svn -r 5303 co https://sashimi.svn.sourceforge.net/svnroot/sashimi/trunk/trans_proteomic_pipeline trans_proteomic_pipeline cd trans_proteomic_pipeline/src touch

Re: [spctools-discuss] processing crux/tide results with tpp

2011-02-03 Thread Andreas Quandt
-supervised parametric mode, or semi-parametric mode on this dataset. -David On Wed, Feb 2, 2011 at 4:32 PM, Andreas Quandt quandt.andr...@gmail.com wrote: hey david, i uploaded 2 files: 1) the original output file of crux: B08-02057_original_crux.pepXML 2) the pepxml with the latest

Re: [spctools-discuss] processing crux/tide results with tpp

2011-02-02 Thread Andreas Quandt
like a Sequest pep.xml file for the time being. On Tue, Feb 1, 2011 at 3:18 PM, Andreas Quandt quandt.andr...@gmail.com wrote: dear list, i tried processing some pep.xml produced by crux with the tpp. however i get always the same error message (i tried xinteract

Re: [spctools-discuss] processing crux/tide results with tpp

2011-02-02 Thread Andreas Quandt
: How did it process it as Sequest if the search_engine attribute still says Crux? -Matt On 2/2/2011 5:30 AM, Andreas Quandt wrote: hey jimmy, thanks for the reply! i tried to follow your advice wtih modifying the pepxml produced by crux. however it seems i am not pulling the right strings

Re: [spctools-discuss] processing crux/tide results with tpp

2011-02-02 Thread Andreas Quandt
? It seems like you got it to process properly as SEQUEST, so there's something wrong further down. -Matt On 2/2/2011 9:56 AM, Andreas Quandt wrote: hey matt, thanks for picking this up. i posted the original first lines of the crux file not all the tries to modify them ;-) after fixing

Re: [spctools-discuss] processing crux/tide results with tpp

2011-02-02 Thread Andreas Quandt
the search engine name and the score names (correct me if I'm wrong TPP folks). If you need a program to do the replace all you can try Notepad++ or Gvim. -Matt On 2/2/2011 10:22 AM, Andreas Quandt wrote: sure :-) originally the spectrum query match looks like spectrum_query spectrum=B08

Re: [spctools-discuss] processing crux/tide results with tpp

2011-02-02 Thread Andreas Quandt
and the score names (correct me if I'm wrong TPP folks). If you need a program to do the replace all you can try Notepad++ or Gvim. -Matt On 2/2/2011 10:22 AM, Andreas Quandt wrote: sure :-) originally the spectrum query match looks like spectrum_query spectrum=B08-02057.mzXML.00234.00234.3

Re: [spctools-discuss] processing crux/tide results with tpp

2011-02-02 Thread Andreas Quandt
a suggestion how to continue? cheers, andreas On Wed, Feb 2, 2011 at 6:49 PM, Andreas Quandt quandt.andr...@gmail.comwrote: Hey Jimmy, I tried the renaming but of course not the adding of the 'missing' scoring values. I report back to you guys as soon as I have tested it :-) Cheers, Andreas

Re: [spctools-discuss] processing crux/tide results with tpp

2011-02-02 Thread Andreas Quandt
, -David On Wed, Feb 2, 2011 at 1:08 PM, Andreas Quandt quandt.andr...@gmail.com wrote: hey david, thanks for answering! i used xinteract -dDECOY_ -OAdPlIw B08-02057_mod.pepXML to process the file. as you suggest using a trunk version: can you refer to a specific revision? cheers

[spctools-discuss] processing inspect results with tpp

2011-01-04 Thread Andreas Quandt
dear list, i try to process some inspect results with the tpp 4.4.1 but i am running in some problems: first i converted the .out file produced by inspect (current version) to a pep.xml (using the latest converter from terry :-) ). /usr/local/apps/inspect/InspectToPepXML.py -i run2.out -o

Re: [spctools-discuss] how to run iprophet with many input files?

2010-12-08 Thread Andreas Quandt
your kernel. 4) Use a linux kernel version = 2.6.23, which I understand has variable argument length. http://kernelnewbies.org/Linux_2_6_23#line-84 Besides that -- I'm not sure. -Joe On Tue, Dec 7, 2010 at 5:14 PM, Andreas Quandt quandt.andr...@gmail.comwrote: dear list, i wanted

[spctools-discuss] Parametric model for OMSSA/InsPecT in TPP 4.4.0?

2010-09-13 Thread Andreas Quandt
Dear list, Can anyone of you answer on the question which search engines in the new TPP version are supported with a parametric model and which have to run with the non-parametric model? Many thanks in advance for answering! Cheers, Andreas -- You received this message because you are

[spctools-discuss] NAN probability density error

2010-09-08 Thread Andreas Quandt
dear list, when trying to run xinteract on some pep.xml files generated with spectrast i run quite often in an NAN probability density error: xinteract -N/cluster/scratch/malars/pgrade/PS_TPP_develop_280/PSet_39/collector/LIB/spectrast_xinteract/Spectrast_Xinteract.pep.xml -OAlIw

Re: [spctools-discuss] segmentation fault error with iprophet of tpp 4.3.1

2010-08-25 Thread Andreas Quandt
fixed in the latest 4-4 version. Can you try that one? On Tue, Aug 24, 2010 at 2:01 PM, Andreas Quandt quandt.andr...@gmail.com wrote: dear list, for one of my data analysis with iprophet i get a segmentation fault error but i am not sure what this means respectively what could have

Re: [spctools-discuss] Re: Issue regarding TPP V4.3

2010-06-02 Thread Andreas Quandt
hey david, many thanks for looking into it! i was wondering if you could point me to a source where conditions such as not using a '.' character in the file's basename are described because i was not aware of that. many thanks in advance, andreas On Wed, Jun 2, 2010 at 12:17 AM, David

Re: [spctools-discuss] Re: Issue regarding TPP V4.3

2010-06-02 Thread Andreas Quandt
described does only occur when using sequest or is this a more general problem? cheers, andreas On Thu, Jun 3, 2010 at 12:24 AM, Andreas Quandt quandt.andr...@gmail.comwrote: hey david, many thanks for looking into it! i was wondering if you could point me to a source where conditions

[spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Andreas Quandt
dear list, i modified some of my mzXML files by removing ms2 spectra which did not fulfill certain criteria. afterwards i tried to analyze them via xtandem but got error messages like might be a corrupted file. to overcome this problem i used indexmzXML which corrected the index by generating a

Re: [spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Andreas Quandt
of the file. Then apply the re-indexing. Hope this helps, --Luis On Tue, Mar 23, 2010 at 9:46 AM, Andreas Quandt quandt.andr...@gmail.com wrote: dear list, i modified some of my mzXML files by removing ms2 spectra which did not fulfill certain criteria. afterwards i tried to analyze

Re: [spctools-discuss] problem to removing spectra from mzXML and to use indexmzXML afterwards

2010-03-23 Thread Andreas Quandt
at the actual file, can you upload to the group's files area? Brian On Tue, Mar 23, 2010 at 1:20 PM, Andreas Quandt quandt.andr...@gmail.comwrote: hey luis, nice to hear from you and many thanks for your fast answer! unfortunately this does not do the trick :-( i renumbered the scans starting

[spctools-discuss] question to pep_dbcount and digestdb

2010-03-15 Thread Andreas Quandt
dear list, i would like to use pep_dbcount and digestdb for some analysis but i am not sure about the values of the output files. hence, it would be great if one of you could shortly explain me which values are displayed there. many thanks in advance, andreas -- You received this message

Re: [spctools-discuss] question to pep_dbcount and digestdb

2010-03-15 Thread Andreas Quandt
from digestdb. Something like digestdb somefile.fasta | sort -k 5,5 digest.output pep_dbcount digest_output On Mon, Mar 15, 2010 at 2:58 PM, Andreas Quandt quandt.andr...@gmail.com wrote: dear list, i would like to use pep_dbcount and digestdb for some analysis but i am not sure

[spctools-discuss] question about IProphet output

2009-11-10 Thread Andreas Quandt
dear list, i was wondering if someone could explain me why there are 2 interprophet result entries for each of the 'hit_rank=1' tags in the pep.xml generated by iprophet? cheers, andreas --~--~-~--~~~---~--~~ You received this message because you are subscribed

[spctools-discuss] Re: question about IProphet output

2009-11-10 Thread Andreas Quandt
and only see a single interprophet result entry per search_hit tag. These files are Mascot, Tandem, OMSSA searches, run individually through PeptideProphet, combined with iProphet. What workflow gives two tags for you? DT Andreas Quandt wrote: dear list, i was wondering if someone

[spctools-discuss] run interact parser with semi-tryptic enzyme

2009-10-28 Thread Andreas Quandt
dear list, i would like to run the interactparser and the mascot2xml with semitryptic as enzyme. unfortunately, i do not know how as the help of both programs does not contain this information. it would be great if someone could tell me the exact enzyme name i have to specify. many thanks in

[spctools-discuss] Re: Out2XML produces strange output using TPP 4.3.1

2009-10-06 Thread Andreas Quandt
/O08-10105_c 1 -all will work. cheers, andreas On Mon, Oct 5, 2009 at 12:51 PM, Andreas Quandt quandt.andr...@gmail.comwrote: dear list, i executed following command: /usr/local/apps/tpp/bin/Out2XML /IMSB/results/workflow/350/sorcerer/output/13200/original/O08-10105_c -all -P/IMSB

[spctools-discuss] Re: problem converting with trapper 4.3.1 on windows vista 64bit

2009-10-06 Thread Andreas Quandt
\TegisterMassHunterDataAccess it would be great if this information could be added to the wiki page of trapper which does not indicate the .NET framework as reqirement cheers, andreas On Mon, Oct 5, 2009 at 2:37 PM, Andreas Quandt quandt.andr...@gmail.comwrote: dear list, i installed

[spctools-discuss] Out2XML produces strange output using TPP 4.3.1

2009-10-05 Thread Andreas Quandt
dear list, i executed following command: /usr/local/apps/tpp/bin/Out2XML /IMSB/results/workflow/350/sorcerer/output/13200/original/O08-10105_c -all -P/IMSB/results/workflow/350/sorcerer/output/13200/original/sequest.params where the sequest.params file looks like this:

[spctools-discuss] problem converting with trapper 4.3.1 on windows vista 64bit

2009-10-05 Thread Andreas Quandt
dear list, i installed the latest version of trapper on a vanilla windows vista 64 bit with sp1 in order to convert some agilent files. unfortunately i get following error message: C:\Program Files (x86)\trappertrapper.exe --mzXML -c c:\andreasquandt\data\E_QTOF\E09_100209_RS_fasted3.d

[spctools-discuss] segmentation fault error for Out2XML

2009-10-02 Thread Andreas Quandt
dear list, i was trying to use Out2XML to convert some sequest .out files. unfortunately i am always getting a segmentation fault as output. i tried several paramter sets and also peak lists but no success. here the command i executed: tpp/bin/Out2XML -pI -P

[spctools-discuss] Re: segmentation fault error for Out2XML

2009-10-02 Thread Andreas Quandt
dear list, sorry the previous email was not send with its complete content: i was trying to use Out2XML to convert some sequest .out files. unfortunately i am always getting a segmentation fault as output. i tried several paramter sets and also peak lists but no success. here the command i

[spctools-discuss] Re: segmentation fault error for Out2XML

2009-10-02 Thread Andreas Quandt
/sorcerer/output/10300/original/O08-10093_c You shouldn't need the -E option, since Out2XML will use the enzyme from the sequest.params file. Greg On Fri, Oct 2, 2009 at 5:32 AM, Andreas Quandt quandt.andr...@gmail.comwrote: dear list, sorry the previous email was not send with its complete

[spctools-discuss] Re: segmentation fault error for Out2XML

2009-10-02 Thread Andreas Quandt
, Oct 2, 2009 at 11:31 AM, Andreas Quandt quandt.andr...@gmail.com wrote: hey greg, many thanks for your answer! apparently this would explain a lot ,-) but what do i have to do when i process multiple files and have therefore multiple directories? do i have to specify all

[spctools-discuss] is it possible to specify output destination for Out2XML

2009-09-30 Thread Andreas Quandt
dear list, i am wondering if there is a possibility to specify the name of the pepXML and/or its output destination when using the Out2XML parser? many thanks in advance for any answers! cheers, andreas --~--~-~--~~~---~--~~ You received this message because you

[spctools-discuss] mascot2xml parser is very slow

2009-09-28 Thread Andreas Quandt
dear list, i tried to convert a mscot dat file of 7gb and it took several days. hence, i would like to ask if any of you knows how to speed this up? cheers, andreas --~--~-~--~~~---~--~~ You received this message because you are subscribed to the Google Groups

[spctools-discuss] Re: mascot2xml parser is very slow

2009-09-28 Thread Andreas Quandt
memory and started thrashing the disk (constantly paging things in and out to the swap file) which slows down any operation tremendously. Quite possibly the parser wasn't designed for files that big (maybe it's storing something internally that's taking up too much space?). -Matt Andreas Quandt

[spctools-discuss] Re: mascot2xml parser is very slow

2009-09-28 Thread Andreas Quandt
file) which slows down any operation tremendously. Quite possibly the parser wasn't designed for files that big (maybe it's storing something internally that's taking up too much space?). -Matt Andreas Quandt wrote: dear list, i tried to convert a mscot dat file of 7gb and it took

[spctools-discuss] Re: mascot2xml parser is very slow

2009-09-28 Thread Andreas Quandt
, Brian Pratt brian.pr...@insilicos.comwrote: I'd be happy to look at a much smaller but otherwise similar data set for any clues - you can send to ftp://insilics.serveftp.net/pub Brian On Mon, Sep 28, 2009 at 8:08 AM, Andreas Quandt quandt.andr...@gmail.com wrote: hi matt, this was also

[spctools-discuss] Re: exit code 6400 when running xinteract on spectrast

2009-09-22 Thread Andreas Quandt
lmend...@systemsbiology.orgwrote: The error seems to be coming from ProtProphModels.pl: Illegal division by zero at /usr/local/apps/tpp/bin/ProtProphModels.pl line 231. But it seems that ProteinProphet finished; do those results look ok? --Luis On Tue, Sep 22, 2009 at 9:57 AM, Andreas

[spctools-discuss] exit code 35584 when running xinteract

2009-09-18 Thread Andreas Quandt
. i played a little bit around with the parameter but get always the same error message. i also checked the output of the xtandem run (contains over 1000 valid models) and also the pep.xml (which is valid). -- Andreas Quandt, PhD Institute of Molecular Systems Biology Swiss Federal Institute

[spctools-discuss] Re: exit code 35584 when running xinteract

2009-09-18 Thread Andreas Quandt
I Natalie or I will be happy to have a look. Brian On Fri, Sep 18, 2009 at 6:47 AM, Andreas Quandt quandt.andr...@gmail.comwrote: dear list, when running following command (tpp 4.3.1) /usr/local/apps/tpp/bin/xinteract -N/IMSB/results/workflow/45/Xinteract_/Xinteract.pep.xml -dDECOY_

[spctools-discuss] Re: parsing error for pepXML from mascot result

2009-07-10 Thread andreas quandt
hey brian, its 4.2.1 in that case ;-) Brian Pratt wrote: What version of the software are you using? Brian -Original Message- From: spctools-discuss@googlegroups.com [mailto:spctools-disc...@googlegroups.com] On Behalf Of andreas quandt Sent: Thursday, July 09, 2009 5:50 AM

[spctools-discuss] parsing error for pepXML from mascot result

2009-07-09 Thread andreas quandt
dear list, i analyzed a few samples with mascot and converted the dat file successfully to pepXML (only error: scan number cannot be found). afterwards i was running xinteract on all created pep.xml files (arguments: l -dDECOY_ -OAlIwp). this was also successful but when i want to display the

[spctools-discuss] Re: building tpp from svn (rev 4395) on ubuntu 9.04

2009-07-01 Thread andreas quandt
hey brian, now i know what you mean. i did not see that the tpp binary folder is automatically created in the parent directory so this seems to work fine. many thanks! andreas Andreas Quandt wrote: Hey Natalie, hello Brian Sorry for getting back to you so late. I tried

[spctools-discuss] login to petunia when using trunk rev 4414

2009-07-01 Thread andreas quandt
dear list, after checking out trunk rev 4414, i wanted to test the petunia interface but there is a problem with the login when using guest/guest. here, i get following error message: User guest not found. Please check your user name, or log in as guest. does anyone has an idea how to fix

[spctools-discuss] Re: getting always the 1% FDR cutoff for peptideprophet/proteinprophet

2009-06-29 Thread andreas quandt
$cmd = gawk '\$5=0.01 {print \$1}' interact.prot_FDR.tsv | sort | head -n 1 ; my $prot_decoy_1pc_thresh = `$cmd` || ; Not elegant, but it works. DT andreas quandt wrote: dear list, i was wondering if there is a solution to calculate the probability cutoffs for s specific FDR

[spctools-discuss] building tpp from svn (rev 4395) on ubuntu 9.04

2009-06-24 Thread andreas quandt
dear list, i would like to test the trunk version of the tpp but have some trouble to build it. i was following the instructions for the installation of 4.2.1 on ubuntu 9.04 (specifying the latest boost library in the Makefile.config.incl) but get following error during the compilation

[spctools-discuss] Re: building tpp from svn (rev 4395) on ubuntu 9.04

2009-06-24 Thread andreas quandt
@googlegroups.com [mailto:spctools-disc...@googlegroups.com] On Behalf Of andreas quandt Sent: Wednesday, June 24, 2009 8:35 AM To: spctools-discuss@googlegroups.com Subject: [spctools-discuss] building tpp from svn (rev 4395) on ubuntu 9.04 dear list, i would like to test the trunk version

[spctools-discuss] Re: building tpp from svn (rev 4395) on ubuntu 9.04

2009-06-24 Thread andreas quandt
, I'm not sure what ubuntu 9.04 ships with. Brian -Original Message- From: spctools-discuss@googlegroups.com [mailto:spctools-disc...@googlegroups.com] On Behalf Of andreas quandt Sent: Wednesday, June 24, 2009 9:28 AM To: spctools-discuss@googlegroups.com Subject: [spctools-discuss

[spctools-discuss] Re: protXML question

2009-06-19 Thread andreas quandt
hey david, perfect! many thanks for the answer :-) cheers, andreas David Shteynberg wrote: Hello Andreas, Indistinguishable proteins must have all peptides in common (same peptide sequences and same number of enzymaticaly tolerable ends on the peptides). In a protein_group only some

[spctools-discuss] protXML question

2009-06-18 Thread andreas quandt
dear list, i would like to ask a very basic question regarding the protXML format: What does the tag 'protein_group' exactly stands for and what is the difference to the information of indistinguishable proteins? thank you very much in advance for your answers! cheers, andreas

[spctools-discuss] convert pepXML to a csv/tsv file via command line

2009-05-13 Thread Andreas Quandt
dear list, does anyone know how to convert a pepXML to a text file with comma- delimeted (tab-delimeted) values? i know there is an option from within the pepxml viewer but i would like to generate the export file without the need of using the graphical interface. it would be great if

[spctools-discuss] Re: convert pepXML to a csv/tsv file via command line

2009-05-13 Thread Andreas Quandt
, at 12:08 PM, Greg Bowersock wrote: Are you looking for the output from Peptide Prophet or Protein Prophet? They can both be done via command line, but they are done different ways. Greg On Wed, May 13, 2009 at 1:43 PM, Andreas Quandt quandt.andr...@gmail.com wrote: dear list, does

[spctools-discuss] Re: building tpp 4.2.1 and trunk on ubuntu 8.10

2009-05-11 Thread Andreas Quandt
call to see where that previous definition is coming from. -Original Message- From: spctools-discuss@googlegroups.com [mailto:spctools-disc...@googlegroups.com] On Behalf Of Andreas Quandt Sent: Tuesday, April 21, 2009 4:23 PM To: spctools-discuss@googlegroups.com Subject

[spctools-discuss] building tpp 4.2.1 and trunk on ubuntu 8.10

2009-04-21 Thread Andreas Quandt
dear list, i tried to build the latest version on ubuntu 8.10 (g++ 4.3.1, boost 1.35) and only partly succeeded. during the make process following error below occured (the same also happens if i try to build the tpp from its trunk). in addition i also tried to run the build process with