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

2011-02-02 Thread Andreas Quandt
hey david, i uploaded 2 files: 1) the original output file of crux: B08-02057_original_crux.pepXML 2) the pepxml with the latest modifications/adaptations discussed in this thread: B08-02057_latest_try_to_adapt.pepXML the original file is an invalid xml. i already reported this to the crux-maili

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

2011-02-02 Thread David Shteynberg
Hi Andreas, Would you mind sharing on of your crux pepXML files? You can post it to our ftp site: http://tools.proteomecenter.org/wiki/index.php?title=TPP:Frequently_Asked_Questions#How_do_I_upload_files_to_the_SPC_tools_team.3F Thanks, -David On Wed, Feb 2, 2011 at 1:08 PM, Andreas Quandt wr

Re: [spctools-discuss] Re: mzXML format question

2011-02-02 Thread Brian Pratt
Mysterious. If that's really what's going on I'd think you could make any number of reader tools tip over, have you tried any? On Wed, Feb 2, 2011 at 1:05 PM, dre wrote: > The byteorder attribute in my test file is set to "network". > > -- > You received this message because you are subscribed t

[spctools-discuss] Re: mzXML format question

2011-02-02 Thread dre
The byteorder attribute in my test file is set to "network". -- You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To post to this group, send email to spctools-discuss@googlegroups.com. To unsubscribe from this group, send email to spctools-disc

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

2011-02-02 Thread Andreas Quandt
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, andreas On Wed, Feb 2, 2011 at 9:57 PM, David Shteynberg < dshteynb...@systemsbiology.org> wrote: > Y

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

2011-02-02 Thread David Shteynberg
Your best bet is to try the code from trunk SVN. Have you tried it in NONPARAM mdoe? -David On Wed, Feb 2, 2011 at 12:52 PM, Andreas Quandt wrote: > hey jimmy and matt, > i tried what jimmy suggested but are stuck again :-( > i added the 'missing' scores as jimmy suggested: >          >   

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

2011-02-02 Thread Andreas Quandt
hey jimmy and matt, i tried what jimmy suggested but are stuck again :-( i added the 'missing' scores as jimmy suggested: and get following output: running: "/cluster/apps/tpp/4.4.1/bin/PeptideProphetParser 'interact.pep.xml' DECOY=DECOY_ ACCMAS

Re: [spctools-discuss] mzXML format question

2011-02-02 Thread Brian Pratt
It's probably emitting mzXML 3, which has a byteOrder attribute in the Peaks element. On Wed, Feb 2, 2011 at 3:20 AM, dre wrote: > Hey guys, > > No bugs here - I just have a question for the mzXML format experts. > I've been trying to learn about the format these days and I'm a little > bit stuck

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

2011-02-02 Thread Andreas Quandt
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 On Feb 2, 2011, at 5:51 PM, Jimmy Eng wrote: > Andreas, > > I didn't say it was going to be easy! :) > > Here's an example S

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

2011-02-02 Thread Andreas Quandt
Hey Matt, I already tried the substitution of the scoring names but unfortunately without success... Cheers, Andreas On Feb 2, 2011, at 5:42 PM, Matthew Chambers wrote: > Did you try renaming the score names? I expect that there is a 1:1 > relationship between the search engine name and the

[spctools-discuss] mzXML format question

2011-02-02 Thread dre
Hey guys, No bugs here - I just have a question for the mzXML format experts. I've been trying to learn about the format these days and I'm a little bit stuck on the data encoding. The mzXML 2.1 specification states that data should be encoded from IEEE float to Network binary to Base 64, however

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

2011-02-02 Thread Jimmy Eng
Andreas, I didn't say it was going to be easy! :) Here's an example Sequest pep.xml file: http://proteomicsresource.washington.edu/dist/sequest.pep.xml As Matt suggested, the search_score names will need to change ("xcorr_score" to "xcorr" and "delta_cn" to "deltacn"). Additionally, you'll prob

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

2011-02-02 Thread Matthew Chambers
Did you try renaming the score names? I expect that there is a 1:1 relationship between 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

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

2011-02-02 Thread Andreas Quandt
sure :-) originally the spectrum query match looks like (to the original sequest, the difference is also that the scores are named: xcorr and deltacn...) --andreas On Wed, Feb 2, 2011 at 5:04

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

2011-02-02 Thread Matthew Chambers
Can you paste a few of the spectrum_query elements? 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

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

2011-02-02 Thread Andreas Quandt
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 the xml structure manually (the originally produced xml file is marked as not well-formed by xmllint), i tried several variations. one of them is posted below:

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

2011-02-02 Thread Matthew Chambers
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
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. when having a crux header like this: i tried various modifications of the msms_run_summary and the search_summary tags but i