Re: [spctools-discuss] cannot convert Thermo raw data to MzML

2013-09-27 Thread Brian Pratt
If you suspect the problem is with the converter (msconvert.exe), try running that outside of TPP and see if you get any interesting error messages. Brian Pratt On Fri, Sep 27, 2013 at 12:56 AM, Konstantinos Vougas kvou...@gmail.comwrote: Hello, I have just completed a fresh installation

Re: [spctools-discuss] Re: splitting large files (via msconvert?)

2013-01-08 Thread Brian Pratt
Not sure how helpful an answer this is, but (as you perhaps already know) there are several parallelized versions of X!Tandem that do that for you. Brian On Tue, Jan 8, 2013 at 1:59 AM, Gautam Saxena gsaxena...@gmail.com wrote: FYI: I meant to write MB wherever I wrote GB. On Tuesday, 8

Re: [spctools-discuss] msconvert: wrong units of CID collision energy in RAW (Thermo) to mzML conversion

2012-12-19 Thread Brian Pratt
Just a note to say that Matt is known to be away for the holidays, so this will probably sit for a little while. - Brian On Wed, Dec 19, 2012 at 7:11 AM, Dmitrii Tchekhovskoi dmitrii...@gmail.comwrote: I guess, only Thermo may know exactly how to convert NCD into eV. I am not sure if the

Re: [spctools-discuss] trouble compiling TPP in ubuntu 12.10'/ binaries of file converters

2012-11-05 Thread Brian Pratt
Check out http://proteowizard.sourceforge.net/ - that's where the msconvert utility is from. On Sun, Nov 4, 2012 at 7:21 PM, Sam Islander sad...@gmail.com wrote: I am having trouble compiling TPP in ubuntu 12.10. I think it's related to boost libs. (version 1.49 is installed by default). I

Re: [spctools-discuss] Faster mzML parser

2012-08-30 Thread Brian Pratt
Quite a lot of performance work was done in pwiz in late 2011 - do you know what version of pwiz is in use? Brian Pratt On Thu, Aug 30, 2012 at 2:16 AM, Thomas Dybdal Pedersen thomas...@gmail.com wrote: Hi I've recently begun to investigate whether it was time to change our pipeline from

Re: [spctools-discuss] Faster mzML parser

2012-08-30 Thread Brian Pratt
UTC+2, Brian Pratt wrote: Quite a lot of performance work was done in pwiz in late 2011 - do you know what version of pwiz is in use? Brian Pratt On Thu, Aug 30, 2012 at 2:16 AM, Thomas Dybdal Pedersen thom...@gmail.com wrote: Hi I've recently begun to investigate whether it was time

Re: [spctools-discuss] Creating / compiling a mzXML file from scratch - C# code available ?

2012-08-08 Thread Brian Pratt
The best thing would be to just use your new reader code to extend msconvert so that it *does* read your file. Then you can output to anything msconvert already handles. - Brian Pratt On Wed, Aug 8, 2012 at 8:40 AM, wlstraube stra...@imp.ac.at wrote: Hello TPP-Team, I would like to compile

Re: [spctools-discuss] Creating / compiling a mzXML file from scratch - C# code available ?

2012-08-08 Thread Brian Pratt
For simplicity, you would probably want to go with the hacking up the old readw code. But if you have any plans for sharing your work or using it very far into the future then you're better off with ProteoWizard and msconvert since that gets maintained and offers more output formats. Brian On

Re: [spctools-discuss] Making a subset of spectra from an mzXML file in Python

2012-06-14 Thread Brian Pratt
The index is technically optional, you should be able to just skip it in your output. (technically and should, as some parsers are brittle and will fail without it - good luck!) On Thu, Jun 14, 2012 at 12:38 PM, Ben Temperton btemper...@gmail.com wrote: Hi Jimmy, I have updated the scan

Re: [spctools-discuss] Re: TPP 4.4.1 compile error on linux

2011-03-18 Thread Brian Pratt
That's the simplest way, yes. Although it may have some other pointy edges on it. On Fri, Mar 18, 2011 at 5:52 AM, GATTACA dfer...@umich.edu wrote: So I should try to compile the SVN version? On Mar 17, 1:07 pm, Brian Pratt brian.pr...@insilicos.com wrote: Looks like I dealt

Re: [spctools-discuss] TPP 4.4.1 compile error on linux

2011-03-17 Thread Brian Pratt
Looks like I dealt with that in trunk, back in December. The commit message was C++ standard (or at least, older, portable revs of the standard) doesn't allow a ctor to call another variant of itself. But we can use default parameter values instead to achieve the same effect.. On Thu, Mar 17,

Re: [spctools-discuss] Re: AB-Sciex TripleTOF wiff files to MGFs

2011-03-03 Thread Brian Pratt
A well constructed mzXML file would normally be somewhat smaller than its mzML equivalent - make sure you've got peaklist compression turned on (IIRC the msconvert default is no compression, which seems like a Bad Thing to me but there you have it). On Wed, Mar 2, 2011 at 10:37 PM, ben

Re: [spctools-discuss] problems compiling tpp r5303 from trunk

2011-02-09 Thread Brian Pratt
, Brian Pratt brian.pr...@insilicos.com wrote: That single quote is certainly incorrect.  I have fixed that, not sure if it also corrects your other issues but you should try again with r5304. Brian On Sat, Feb 5, 2011 at 10:03 AM, Andreas Quandt quandt.andr...@gmail.com wrote: dear list

Re: [spctools-discuss] problems compiling tpp r5303 from trunk

2011-02-05 Thread Brian Pratt
That single quote is certainly incorrect. I have fixed that, not sure if it also corrects your other issues but you should try again with r5304. Brian On Sat, Feb 5, 2011 at 10:03 AM, Andreas Quandt quandt.andr...@gmail.com wrote: dear list, i tried to comile the r5303 from the trunk

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

2011-02-03 Thread Brian Pratt
No data compression on the peak list? Try running the file through mscovert, it does not use the RAMP parser and should give a good sanity check on the mzXML file in question. Instead of guessing at what's reasonable, I'd advise determining what the actual value is (again, msconvert could help

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 shee...@gmail.com 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

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 shee...@gmail.com wrote: The byteorder attribute in my test file is set to network. -- You received this message because you are

Re: [spctools-discuss] Compress peak lists option

2011-01-31 Thread Brian Pratt
It doesn't change the data, it just performs lossless zlib data compression on it. I'm not really sure why that isn't the default behavior. On Thu, Jan 27, 2011 at 11:40 PM, furukie efur...@etc.a-star.edu.sg wrote: Hi, May I know what the option Compress peak lists for smaller output file

Re: [spctools-discuss] PepXMLViewer.cgi error on TPP4.4

2011-01-14 Thread Brian Pratt
The output from the xinteract command of the analysis stage will tell you more about your problem than the Apache logs will. The pepXMLViewer error is probably just a result of some previous failure. Brian On Thu, Jan 13, 2011 at 10:03 PM, Furuki Eiko efur...@etc.a-star.edu.sg wrote: Hi,

Re: [spctools-discuss] Re: Trouble compiling with pwiz to read mzXML or mzML files

2010-12-13 Thread Brian Pratt
don't know what to grab. Thanks Damian On Dec 10, 12:55 pm, Brian Pratt brian.pr...@insilicos.com wrote: Are you using the TPP build system, and its copy of ProteoWizard, or are you using the official ProteoWizard build system?  If it's the latter you might be better asking on the proteowizard

Re: [spctools-discuss] How to make X! Tandem respect input charge state?

2010-12-13 Thread Brian Pratt
TITLE=Foo.5986.5986.4 RTINSECONDS=123.4 PEPMASS=748.617 946661.3125 CHARGE=4 259.9697876 24.20503426 261.1176758 4.82276392 ... END IONS -Matt On 12/13/2010 1:08 PM, Brian Pratt wrote: The code does appear to be looking for and recording the value of CHARGE= - but that gets lost

Re: [spctools-discuss] Trouble compiling with pwiz to read mzXML or mzML files

2010-12-10 Thread Brian Pratt
Are you using the TPP build system, and its copy of ProteoWizard, or are you using the official ProteoWizard build system? If it's the latter you might be better asking on the proteowizard support list. Brian On Fri, Dec 10, 2010 at 6:57 AM, GATTACA dfer...@umich.edu wrote: Hello. I'm trying

Re: [spctools-discuss] Can not download the tutorial.exe file

2010-11-23 Thread Brian Pratt
. I have succeed to download other files from other website, showing there is no filter preventing downloading. I am in the University in China, maybe internet is not very good. So could you tell me another website where I can download the file? 2010/11/23 Brian Pratt brian.pr...@insilicos.com

Re: [spctools-discuss] Can not download the tutorial.exe file

2010-11-22 Thread Brian Pratt
to download tutorial data from the website (http://www.insilicos.com/data/tutorial.exe) to proceed. On Mon, Nov 22, 2010 at 3:34 AM, Brian Pratt brian.pr...@insilicos.com wrote: You shouldn't need anything from the Insilicos website - are you using the tutorial at http://tools.proteomecenter.org

Re: [spctools-discuss] Can not download the tutorial.exe file

2010-11-21 Thread Brian Pratt
You shouldn't need anything from the Insilicos website - are you using the tutorial at http://tools.proteomecenter.org/wiki/index.php?title=TPP_Tutorial ? On Sun, Nov 21, 2010 at 3:40 AM, 钟传奇 andy...@gmail.com wrote: Hi, everyone. I am fresh to TPP, and want to learn it. I have read Tans

Re: [spctools-discuss] file permissions under Petunia/Windows

2010-11-05 Thread Brian Pratt
I expect you need to tweak the Apache config to tell it that it's OK for the webserver to access that directory. On Thu, Nov 4, 2010 at 7:59 AM, Cristian cristian.r...@gmail.com wrote: Dear All, We have problems seeing files in Petunia (Windows) under working data directory of TPP installed

Re: [spctools-discuss] Can't open PepC results

2010-11-02 Thread Brian Pratt
Hi James, Can I have a bit more detail? Click on what, exactly, and in what context? Where does the text appear? Can you provide the entire text? Thanks, Brian On Mon, Nov 1, 2010 at 5:50 PM, James Broadbent james.broadb...@gmail.com wrote: Hi Everyone, I'm having a bit of trouble with

Re: [spctools-discuss] Re: building tpp in VC8

2010-10-14 Thread Brian Pratt
it does not. If the readme said that one must build with MinGW first, I would have been saved many many many hours. Perhaps someone in the future will have the same need. And thanks for sticking with me Brian, I will give it a go with MinGW! On Oct 14, 2:09 pm, Brian Pratt brian.pr

Re: [spctools-discuss] Re: building ReAdW (fann.h?)

2010-10-12 Thread Brian Pratt
jeffrey.a.mil...@gmail.com wrote: Hi Brian Building is no longer essential for me, but I gave it a try anyways. the fann libraries are sorted out, but the gsl project is a mess of missing/moved header files. Does trunk build for anyone right now? On Oct 12, 10:36 am, Brian Pratt brian.pr

Re: [spctools-discuss] Re: building ReAdW (fann.h?)

2010-10-12 Thread Brian Pratt
of missing/moved header files. Does trunk build for anyone right now? On Oct 12, 10:36 am, Brian Pratt brian.pr...@insilicos.com wrote: Try building from trunk. That fann stuff came in to the build fairly recently and was probably pushed into the branch without the accompanying

Re: [spctools-discuss] Re: TPP parsing error during Mascot Search result conversion to pepXML

2010-07-01 Thread Brian Pratt
You'll need to get the entire source tree from /sashimi/trunk/trans_proteomic_pipeline/ down, them cd to /sashimi/trunk/trans_proteomic_pipeline/src and make _Mascot2XML. On Thu, Jul 1, 2010 at 9:58 AM, Ronald W. Finnegan r...@mail.nih.gov wrote: I have downloaded the MascotConverter.cxx source

Re: [spctools-discuss] Re: TPP parsing error during Mascot Search result conversion to pepXML

2010-07-01 Thread Brian Pratt
windows server? On Jul 1, 1:42 pm, Brian Pratt brian.pr...@insilicos.com wrote: You'll need to get the entire source tree from /sashimi/trunk/trans_proteomic_pipeline/ down, them cd to /sashimi/trunk/trans_proteomic_pipeline/src and make _Mascot2XML. On Thu, Jul 1, 2010 at 9:58 AM, Ronald W

Re: [spctools-discuss] Question on Mascot.dat file and database.fasta file

2010-06-28 Thread Brian Pratt
: Operation not permitted END OUTPUT RETURN CODE:256 ## End Command Execution ## # All finished at Mon Jun 28 16:24:39 2010 # END COMMAND BLOCK Any suggestion for fixing this? Thanks in advance Jing On Thu, Jun 24, 2010 at 8:06 AM, Brian Pratt brian.pr

Re: [spctools-discuss] TPP pipeline execution after the xtandem search results Total hits of 0

2010-06-24 Thread Brian Pratt
-zero exit code: 11 QUIT - the job is incomplete [r...@apcf-hn3 2010-06-23]# On Thu, Jun 24, 2010 at 1:39 AM, Brian Pratt brian.pr...@insilicos.comwrote: If you're running this using xinteract, you can debug a little by adding -t! to the xinteract commandline on the release version, and -t

Re: [spctools-discuss] TPP pipeline execution after the xtandem search results Total hits of 0

2010-06-23 Thread Brian Pratt
If you're running this using xinteract, you can debug a little by adding -t! to the xinteract commandline on the release version, and -t# to the commandline for the development version. -t! (note the exclamation point) causes a series of test files to be generated (they're just copies of the

Re: [spctools-discuss] Question on Mascot.dat file and database.fasta file

2010-06-22 Thread Brian Pratt
I don't see it there... On Fri, Jun 18, 2010 at 5:57 PM, Jing Wang fayfay9...@gmail.com wrote: Hi Brian, Thanks! I have uploaded my mascot search file (F030337.dat). Fay On Fri, Jun 18, 2010 at 2:52 PM, Brian Pratt brian.pr...@insilicos.comwrote: Hard to say what's going on. Perhaps

Re: [spctools-discuss] Question on Mascot.dat file and database.fasta file

2010-06-18 Thread Brian Pratt
Hard to say what's going on. Perhaps you could upload your new mascot result file to the files area at http://groups.google.com/group/spctools-discuss?hl=en. and someone can have a look. Brian On Fri, Jun 18, 2010 at 11:09 AM, Fay Wang fayfay9...@gmail.com wrote: Hi all, I posted my

Re: [spctools-discuss] installing some programs in standalone

2010-06-17 Thread Brian Pratt
Sure, that's not unusual. Have a look at the makefile to see the individual targets. Building on Solaris 10 *is* a bit unusual, though, you may hit some bumps. On Thu, Jun 17, 2010 at 4:17 AM, sasircm duha...@ircm.qc.ca wrote: Hello I would like to intergrate some of TPP programs in a in

Re: [spctools-discuss] Re: Unresolved issue: TPP GUI error message: sh: tpp_hostname: command not found

2010-05-24 Thread Brian Pratt
= /tpp/cgi-bin/check_env.pl GATEWAY_INTERFACE = CGI/1.1 SERVER_ADDR = 130.232.69.141 DOCUMENT_ROOT = /usr/local/tpp/html/ WEBSERVER_TMP = /usr/local/tpp/html/tmp HTTP_HOST = host On May 21, 3:15 am, Brian Pratt brian.pr...@insilicos.com wrote: PATH is of interest as well.  Or you could just

Re: [spctools-discuss] PepC (and TPP) Build error on OS 10.5

2010-05-24 Thread Brian Pratt
Hi Oded, You'll need Java 1.6 - turns out javax.swing.table.TableRowSorter isn't in 1.5. Can you readily upgrade that? Brian On Sun, May 23, 2010 at 3:48 AM, Oded oded.kleif...@gmail.com wrote: Hi all, I am trying to install the latest TPP code (version 4984) on my Mac that runs 10.5 using

Re: [spctools-discuss] Error Searching

2010-05-21 Thread Brian Pratt
I don't see anything on my FTP server, possibly you uploaded to ISB. But the thing to do is to post it to the files area for spctools-discuss, as previously suggested: http://groups.google.com/group/spctools-discuss/files?hl=en That's your best shot at getting community support, since much of the

Re: [spctools-discuss] Re: Installing X! Tandem Under Linux

2010-05-20 Thread Brian Pratt
at Thu May 20 17:32:43 2010 # END COMMAND BLOCK Can anyone help? On Wed, May 19, 2010 at 7:47 PM, Brian Pratt brian.pr...@insilicos.com wrote: Yes, those scripts work flawlessly against the (now somewhat old) EC2 base images mentioned in their comments.   But I imagine they need tweaking

Re: [spctools-discuss] Re: Installing X! Tandem Under Linux

2010-05-20 Thread Brian Pratt
also, probably best to start a new thread - this hasn't got much to do with Installing X! Tandem Under Linux - Brian On Thu, May 20, 2010 at 1:28 PM, Brian Pratt brian.pr...@insilicos.com wrote: Can you post the various files to the spctools-discuss files area? Sounds like the kind of thing

Re: [spctools-discuss] Re: Installing X! Tandem Under Linux

2010-05-19 Thread Brian Pratt
Yes, those scripts work flawlessly against the (now somewhat old) EC2 base images mentioned in their comments. But I imagine they need tweaking when used with something newer - linux ecosystems can be pretty brittle, as you know. Brian On Wed, May 19, 2010 at 8:21 AM, EricTan

Re: [spctools-discuss] Re: Installing X! Tandem Under Linux

2010-05-18 Thread Brian Pratt
Have you had a look at the trans_proteomic_pipeline\installer_linux directory in the source code tree? Those are the configuration scripts we use on EC2, and for local continuous integration tests. Brian On Tue, May 18, 2010 at 2:40 AM, EricTan mefloqu...@gmail.com wrote: Thanks for the

Re: [spctools-discuss] Re: Unresolved issue: TPP GUI error message: sh: tpp_hostname: command not found

2010-05-18 Thread Brian Pratt
that I don't feel I can support running TPP in a Linux environment. On Mar 23, 6:23 pm, Brian Pratt brian.pr...@insilicos.com wrote: Start with the tpp_hostname: command not found message.  The solution is a combination of setting the PATH for the webserver user, and customizing your

Re: [spctools-discuss] Re: Installing X! Tandem Under Linux

2010-05-14 Thread Brian Pratt
why is it that the TPP comes with a version of X! Tandem that's about three years older than the current version? The TPP version is a fork of X!Tandem that allows pluggable scoring (that feature is courtesy of LabKey Software) and full mzML and mzXML.gz read capability (via ProteoWizard

Re: [spctools-discuss] OMSSA pep.xml files and PepXMLviewer.cgi...

2010-05-13 Thread Brian Pratt
unable to read pepxml file: error parsing pepxml file: XML parsing error: not well-formed (invalid token), at xml file line 11, column 62 It might be interesting to run it through an XML validator, both before and after your manipulations, to see if it's actually ill-formed. Brian On Thu, May

Re: [spctools-discuss] pepXML to mgf?

2010-05-12 Thread Brian Pratt
Not sure how that would work, as pepXML doesn't contain peak lists. On Tue, May 11, 2010 at 9:09 AM, Jesse J firstblackphan...@gmail.comwrote: Is there a program that will convert a pepXML file to an mgf file? -- You received this message because you are subscribed to the Google Groups

Re: [spctools-discuss] precursorCharge determination in readw -- a bug or a feature?

2010-05-12 Thread Brian Pratt
Have you had a look at the ReAdW source code? http://sashimi.svn.sourceforge.net/viewvc/sashimi/trunk/trans_proteomic_pipeline/src/mzXML/converters/ReAdW/ Worth noting, too, that this is being let go in favor of msconvert from the ProteoWizard project, which is more actively maintained than

Re: [spctools-discuss] Re: K-score with most recent version of x!tandem

2010-05-05 Thread Brian Pratt
What Brendan is suggesting is adding something like this to the k_score class: /* Thu, Apr 22, 2010 at 9:26 AM on spctools-discuss, Brendan M said: I took a quick look at the code, and this function appears to be related to new handling for phosphorylation. It looked to me like you could just

Re: [spctools-discuss] Malformed XML generated by Peptide Prophet

2010-04-15 Thread Brian Pratt
The defect is really somewhere upstream - whatever created the pepxml files that went into xinteract should have escaped those characters. On Wed, Apr 14, 2010 at 11:25 PM, Simon Michnowicz simon.michnow...@gmail.com wrote: Dear Group, I am running a Peptide Prophet search but xinteract

Re: [spctools-discuss] decode and uncompress mzXML 3.1 peaks (zlib) in perl

2010-04-08 Thread Brian Pratt
Actually you decode the base64 to binary data, then decompress compressedLen bytes of that data to get the binary peaks info you're already used to dealing with. For an example have a look at * http://sashimi.sourceforge.net/trunk/jrap/sax2/src/org/systemsbiology/jrap/SAX2ScanHandler.java * Not

Re: [spctools-discuss] PepXMLViewer - not well formed (invalid token) error

2010-03-31 Thread Brian Pratt
My guess would be that the parser is trying to fail gracefully on an out of memory condition - it forgets part of the stream then is confused when it hits an unmatched closing tag. But that's just a guess. Could also be about crossing the dread 2GB file size threshold. It's almost certainly

Re: [spctools-discuss] Re: PepXMLViewer - not well formed (invalid token) error

2010-03-31 Thread Brian Pratt
only a very small fraction of that. Looked again and the file is *just* over the 2GB boundary, looks like you're right, which has pointed me to the index file, which shows the integer offset values have overflowed. Many Thanks, DT On 31 Mar, 17:08, Brian Pratt brian.pr...@insilicos.com

Re: [spctools-discuss] Re: PepXMLViewer - not well formed (invalid token) error

2010-03-31 Thread Brian Pratt
, and long int would give 4GB on 32-bit or much more on 64-bit systems. DT On 31/03/2010 18:36, Brian Pratt wrote: Do you know how pepXMLViewer.cgi was built? It's meant to support large files... On Wed, Mar 31, 2010 at 9:54 AM, dctrud dct...@ccmp.ox.ac.uk wrote: Hi Brian, I

Re: [spctools-discuss] Re: PepXMLViewer - not well formed (invalid token) error

2010-03-31 Thread Brian Pratt
tomorrow at where the index is created, and what integer types are being used. I suppose an unsigned int can be used then that'd be good for up to 4GB, and long int would give 4GB on 32-bit or much more on 64-bit systems. DT On 31/03/2010 18:36, Brian Pratt wrote: Do you know how

Re: [spctools-discuss] Unresolved issue: TPP GUI error message: sh: tpp_hostname: command not found

2010-03-23 Thread Brian Pratt
Start with the tpp_hostname: command not found message. The solution is a combination of setting the PATH for the webserver user, and customizing your tpp_gui_config.pl file to tell the GUI where you installed the various executables. Good luck, Brian On Tue, Mar 23, 2010 at 6:20 AM, Eliza

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

2010-03-23 Thread Brian Pratt
Does the file pass general XML validation? That is, did you possibly damage it structurally? It's hard to discuss these things without looking 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:

Re: [spctools-discuss] mzXML validator

2010-03-18 Thread Brian Pratt
All sound conjectures, but hard to say without laying eyes on the data. Can you zip one up and post to the group's files area? On Thu, Mar 18, 2010 at 7:04 AM, GATTACA dfer...@umich.edu wrote: Hello We have about 30 mzXML files we have analyzed using X!Tandem/TPP without any problems.

Re: [spctools-discuss] Re: XTandem search

2010-03-10 Thread Brian Pratt
' file page, and then reply with a post containing the filename: http://groups.google.com/group/spctools-discuss/files On 3/9/10 2:01 PM, Brian Pratt wrote: I had a look at the three mzXML files you uploaded to Insilicos - they're quite large (about 1GB each) and it just takes X!Tandem

Re: [spctools-discuss] xtandem search didn't run through Petunia

2010-03-10 Thread Brian Pratt
output. But if I try run_in c:\; dir, I get: command dir failed: Unknown error. Could it be I previously had installed Perl 5.10? I uninstalled it and then installed Perl 5.8.9 followed by tpp 4.3.1. Lik Wee On Wed, Mar 10, 2010 at 1:34 PM, Brian Pratt brian.pr

Re: [spctools-discuss] how to analyze the big file size date with TPP

2010-03-10 Thread Brian Pratt
Offline. 2. Click the Favorites Center button , click History, and then click the page you want to view. *From:* spctools-discuss@googlegroups.com [mailto: spctools-disc...@googlegroups.com] *On Behalf Of *Brian Pratt *Sent:* 08 March 2010 16:16 *To:* spctools-discuss@googlegroups.com

Re: [spctools-discuss] xtandem search didn't run through Petunia

2010-03-10 Thread Brian Pratt
Did you have a working TPP installation before? On Wed, Mar 10, 2010 at 3:54 PM, Lik Wee Lee l...@systemsbiology.orgwrote: Hi Brian, On Wed, Mar 10, 2010 at 3:34 PM, Brian Pratt brian.pr...@insilicos.comwrote: I think the fact that run_in doesn't work indicates some kind of system level

Re: [spctools-discuss] xtandem search didn't run through Petunia

2010-03-10 Thread Brian Pratt
and it complained about missing perl so I downloaded 5.10 and installed it successfully. But when I ran into problems, I thought it might be due to the perl version, so I uninstall Perl 5.10.1 and TPP and then reinstall Perl 5.8.9 and TPP. Lik Wee On Wed, Mar 10, 2010 at 4:08 PM, Brian Pratt

Re: [spctools-discuss] how to analyze the big file size date with TPP

2010-03-08 Thread Brian Pratt
Hi Eileen, Perhaps you could start by posting the output from a failed TPP run (just copy and paste from the TPP GUI). Will not work doesn't provide enough information for anyone to make a helpful observation. Brian On Mon, Mar 8, 2010 at 3:59 PM, Eileen Yue y...@ohsu.edu wrote: Dear All:

Re: [spctools-discuss] Re: XTandem search

2010-03-01 Thread Brian Pratt
or directory Command:PASV Response: 550 /pub/Hannes_20100301/20091125_AD_Boiani_oocyte_03.raw: No such file or directory Error: Critical file transfer error . Kind regards, Hannes On 26 Feb., 19:18, Brian Pratt brian.pr...@insilicos.com wrote: Strange indeed. If you

Re: [spctools-discuss] XTandem search

2010-02-26 Thread Brian Pratt
more times now and to me it looks like as if XTandem database searches are currently only possible in tranches of two. Strange, isn´it? Hannes 2010/2/24 Brian Pratt brian.pr...@insilicos.com: You'll want to narrow it down to identify the problem - for example, what happens when you

Re: [spctools-discuss] Re: ASAPRatioProteinRatioParser Performance

2010-02-04 Thread Brian Pratt
Looking at the code I can see where this would easily become diskbound for large data sets - it reads and rereads the same pepXML files repeatedly, but the effect is probably masked by disk cacheing up to a certain point. Somebody would need to write some logic for cacheing the file contents to

Re: [spctools-discuss] Re: ASAPRatioProteinRatioParser Performance

2010-02-04 Thread Brian Pratt
, but the continued rpeated slows things down. R.E. solutions for this, is Boost code welcomed in the main TPP tools? I think I can re-write using a single pass parse of the .pep.xml into a Boost.MultiIndex hash of structs/classes containing the required peptide info. DT Brian Pratt wrote

Re: [spctools-discuss] Re: Need help with MzXML2Search

2009-11-24 Thread Brian Pratt
FWIW, the -T option actually does get a mention in the usage statement, -Tnum where num is a float specifying maximum MH+ scan, default=4200.0 Da although it refers to maximum scan instead of maxmum mass, which may have caused your eye to trip over it. I'll fix that. Thanks for the

Re: [spctools-discuss] Re: building on windows

2009-11-24 Thread Brian Pratt
I checked in that change on Nov 17. Brian On Tue, Nov 24, 2009 at 1:25 PM, Bill Nelson nelson...@gmail.com wrote: So, is that an error in the code or is my compiler special, that is, do I change my local copy or has the trunk been updated? Thanks, Bill On Nov 17, 5:14 pm, Brian Pratt

Re: [spctools-discuss] re: patch: Sqt2XML fixes

2009-11-18 Thread Brian Pratt
Hi Mike, I'll have a go at it. It might be easiest if you just emailed me your modified code directly. Brian Pratt On Tue, Nov 17, 2009 at 4:20 PM, Mike Coleman tutu...@gmail.com wrote: It doesn't look like this patch ever made it into the SVN tree. Could someone look at adding it? I

[spctools-discuss] Re: MzXML2Search problem (Agilent msconvert-ed data)

2009-11-17 Thread Brian Pratt
might not see that coming. Perhaps you could furnish an example of the msconvert output that's giving you trouble? Eyeballing the code only gets one so far, it's ideal to see it actually running in the debugger. Brian Pratt On Tue, Nov 17, 2009 at 6:33 AM, Dave Trudgian dct...@ccmp.ox.ac.uk wrote

[spctools-discuss] Re: OMSSA files with PeptideProphet

2009-11-17 Thread Brian Pratt
- Brian Pratt On Tue, Nov 17, 2009 at 6:08 AM, Loïc JOFFRE loic.jof...@gmail.com wrote: Hello everyone, I have .omx result files (from OMSSA browser 2.1.1) and I would like to use the PeptideProphet (TPP v4.3.1). However, the PeptideProphet only accepts .pepxml files, how could I do to run

Re: [spctools-discuss] Re: building on windows

2009-11-17 Thread Brian Pratt
be a little OCD. Thanks, Bill On Nov 17, 2:42 pm, Brian Pratt brian.pr...@insilicos.com wrote: Glad it's coming along. There is some weirdness here, though - my copy of out2xml.cxx doesn't have a comparison operator at line 752, and it's current with SVN. Brian On Tue, Nov

[spctools-discuss] Re: building on windows

2009-11-16 Thread Brian Pratt
if, at least, the README file had been updated when the build procedure was changed. Thanks, Bill On Nov 9, 11:59 am, Brian Pratt brian.pr...@insilicos.com wrote: Can you please guide me to the correct win_lib folder for the trunk or is it no longer needed? No longer needed. Instead, things

[spctools-discuss] Re: building on windows

2009-11-16 Thread Brian Pratt
to troubleshoot the makefile? Thanks, Bill On Nov 16, 1:34 pm, Brian Pratt brian.pr...@insilicos.com wrote: Bill, Agreed, it's bad when the docs get stale. I'll update that windows readme. As to the IDE, I'm with you but the bulk of the TPP developers are linux folk. Brian

[spctools-discuss] Re: PHP - Apache

2009-11-13 Thread Brian Pratt
Best approach is to check the logs, and google on what you find there. On Thu, Nov 12, 2009 at 9:23 PM, Sugu nsug...@gmail.com wrote: Hi, I have using ubuntu 9.04 linux, Yesterday I installed PHP and Apache. Both are working fine, can able to execute those commands. But today after

[spctools-discuss] Re: Issue with pepXML generation

2009-11-11 Thread Brian Pratt
Granted, this is a defect - but that's still an unfortunate choice of characters. Even with the correction I can imagine this tripping up other software downstream since the properly escaped XML would no longer match the FASTA on a literal basis. I don't suppose your users could be induced to

[spctools-discuss] Re: Issue with pepXML generation

2009-11-11 Thread Brian Pratt
are in the FASTA. http://srs.ebi.ac.uk/srsbin/cgi-bin/wgetz?-id+657mP1a3t7q+-e+[IPI:%27IPI00465120.3%27]+-qnum+1+-enum+1 Cheers, DT On Nov 11, 7:52 pm, Brian Pratt brian.pr...@insilicos.com wrote: Yes, one would want to escape everything properly - happily there's a library call

[spctools-discuss] Re: msconvert generated mzML file

2009-10-05 Thread Brian Pratt
the msconvert to convert some QQQ wiff files to mzML format. Are we talking about ABI WIFF or Thermo RAW? -Matt Brian Pratt wrote: You probably mean mzXML rather than mzML? On Fri, Oct 2, 2009 at 3:55 PM, Zhi Sun z...@systemsbiology.org mailto:z...@systemsbiology.org wrote

[spctools-discuss] Re: msconvert generated mzML file

2009-10-05 Thread Brian Pratt
:* spctools-discuss@googlegroups.com [mailto: spctools-disc...@googlegroups.com] *On Behalf Of *Brian Pratt *Sent:* Monday, October 05, 2009 9:20 AM *To:* spctools-discuss@googlegroups.com *Subject:* [spctools-discuss] Re: msconvert generated mzML file I don't think Readw ever made mzML files did

[spctools-discuss] Re: msconvert generated mzML file

2009-10-05 Thread Brian Pratt
in SeeMS, and it is profile mode data. Zhi, is the mzML on peptideAtlas the result after you added the peakPicking filter? -Matt Brian Pratt wrote: FWIW those mzML files don't load in InsilicosViewer, which uses the same pwiz libs as tandem for reading. I'm investigating. The mzXML

[spctools-discuss] Re: msconvert generated mzML file

2009-10-05 Thread Brian Pratt
samples, but only one sample has spectra. -Matt Brian Pratt wrote: Matt, FWIW that's actually a 78MB file when extracted from the gzipped tarball (95MB in its mzXML version). Not sure if that colors your thinking. It's RAMPAdapter doing the heavy lifting. Brian On Mon, Oct 5

[spctools-discuss] Re: msconvert generated mzML file

2009-10-02 Thread Brian Pratt
You probably mean mzXML rather than mzML? On Fri, Oct 2, 2009 at 3:55 PM, Zhi Sun z...@systemsbiology.org wrote: I just mean the mzML format itself. I used ReAdw to convert RAW file to mzML format. Thanks, Zhi -Original Message- From: spctools-discuss@googlegroups.com

[spctools-discuss] Re: QTOF Premier SILAC data - MassWolf vs PKL

2009-10-01 Thread Brian Pratt
Would that retain elution time information? That's important for many types of analysis. On Thu, Oct 1, 2009 at 5:56 AM, ChargedPeptide malm.e...@gmail.com wrote: Hmmm... Just a thought, while I haven't used it myself , what happens if you try to take the route of first exporting a PKL file

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

2009-09-28 Thread Brian Pratt
It also depends to some degree on what kind of data it's coverting. For example, in some cases it has to root through the raw mass spec data files to recover retention time info that didn't get passed through Mascot. It's hard to generalize. Brian On Mon, Sep 28, 2009 at 7:55 AM, Matthew

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

2009-09-28 Thread Brian Pratt
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.comwrote: hi matt, this was also my first thought but the memory usage was at about

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

2009-09-28 Thread Brian Pratt
oops, typo ftp://insilicos.serveftp.net/pub On Mon, Sep 28, 2009 at 8:13 AM, 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

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

2009-09-28 Thread Brian Pratt
like this: /usr/local/apps/tpp/bin/Mascot2XML /IMSB/results/workflow/188/mascot_createAscFile/125380469701.dat -D/IMSB/data/databases/swissprot_57.7/sp_9606.fasta -E trypsin -Ip cheers, andreas On Mon, Sep 28, 2009 at 5:01 PM, Brian Pratt brian.pr...@insilicos.comwrote: It also depends

[spctools-discuss] Re: Computer Freezing

2009-09-25 Thread Brian Pratt
I'd say just run TPP on a different computer than SEQUEST if you suspect a bad interaction, at least until you're convinced that the stability issues aren't with SEQUEST. For what it's worth, TPP should probably be able to use the same Perl as SEQUEST now. In previous versions TPP was quite

[spctools-discuss] Re: running database search through command prompt

2009-09-23 Thread Brian Pratt
You're running into the usual Apache timeout problem on large jobs, and running from the commandline is actually an excellent workaround. Actually you can very properly view the web UI as a training tool for the use of command line tools. Brian On Wed, Sep 23, 2009 at 10:07 AM, Kris

[spctools-discuss] Re: Question about Apache

2009-09-21 Thread Brian Pratt
You only need Apache if you want to use the web-based nice user interface to help you find your way around the TPP tool set. If you want to just run from the command line then it's not required. On Sun, Sep 20, 2009 at 9:59 PM, sunsun szy3...@gmail.com wrote: HI, Can anybody here explain why

[spctools-discuss] Re: Failure with make

2009-09-18 Thread Brian Pratt
: That doesn't make any difference. On Aug 27, 8:12 pm, Brian Pratt brian.pr...@insilicos.com wrote: Yeah, that's what we use here too. Perhaps you could try it as a different, newly created user? It sounds like there is something peculiar about your shell setup

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

2009-09-18 Thread Brian Pratt
My guess is its nothing you're doing wrong - iProphet is still pretty new and it's probably confusing the PepXMLViewer parser. If you can upload the file that crashed pepXMLViewer to ftp://insilicos.serveftp.net/pub I Natalie or I will be happy to have a look. Brian On Fri, Sep 18, 2009 at 6:47

[spctools-discuss] Re: How to modify fasta ID in batch?

2009-09-18 Thread Brian Pratt
Have a look at the decoyfasta tool that ships with TPP. On Fri, Sep 18, 2009 at 10:21 AM, rhodea rho...@gmail.com wrote: Dear friends, I have a large protein database (2G) in fasta format. I want to use it as decoy database during protein identification and append it to a target database.

[spctools-discuss] Re: Maldi data protein prophet problem

2009-09-17 Thread Brian Pratt
I'll have a quick look at this. Brian On Thu, Sep 17, 2009 at 12:13 AM, YAN ms006z...@hotmail.com wrote: Hi everyone! Here are some more supplementary information from the output screen of TPP: Command 1 c:\Inetpub\tpp-bin\ProteinProphet c:/Inetpub/wwwroot/ISB/data/

[spctools-discuss] Re: Maldi data protein prophet problem

2009-09-17 Thread Brian Pratt
It appears to have never been run though peptideProphet. I should add a bit of logic to proteinProphet to catch that and issue a more useful error message. On Thu, Sep 17, 2009 at 10:52 AM, Brian Pratt brian.pr...@insilicos.comwrote: I'll have a quick look at this. Brian On Thu, Sep 17

[spctools-discuss] Re: Problems with TPP installation

2009-09-15 Thread Brian Pratt
Or maybe it just wants windows-y path descriptions? \ instead of / ? On Tue, Sep 15, 2009 at 11:48 AM, Natalie Tasman natalie.tas...@insilicos.com wrote: Is it possible for you to completely uninstall your old version of Apache, and then rerun the TPP installation? This should install, and

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