Re: [spctools-discuss] Mac OS X install - boost compatibility

2012-10-03 Thread Natalie Tasman
I haven't built the TPP on OS X recently, but the build system contains its own copy of the boost libraries. Can you tell if the TPP build is using the TPP version of boost or the system library? (I'd try to debug but my machines are on 10.7 and 10.8) -Natalie On Mon, Oct 1, 2012 at 4:24 PM,

Re: [spctools-discuss] Re: msconvert of Agilent .d raw files = wrong scan numbering

2011-02-11 Thread Natalie Tasman
are indeed *consecutively* numbered (from 1 till 5'000 or more) in the raw data when you browse them with the Agilent MassHunter Qual software. So my guess is that there might still be something fishy about msconvert here. My understanding was that the former converter (Trapper from Natalie Tasman

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

2011-02-04 Thread Natalie Tasman
Nice job on tracking that down. I'm sure there are other examples but in TPP's src/mzXML/common directory you can look at the Base64 and ScanConverter.cpp for code examples and some documentation on the encoding. -Natalie On Fri, Feb 4, 2011 at 6:56 AM, dre shee...@gmail.com wrote: Actually I

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

2010-10-14 Thread Natalie Tasman
Have you done comparisons between mzXML output from your WINE installation and a native Windows environment? I would expect that there will be some subtle but important differences between the two. Like I've said before on this list, and as Matt stated on this thread, if you have this working

Re: [spctools-discuss] Pepxml to txt or tsv conversion

2010-09-09 Thread Natalie Tasman
I wrote the pepXML viewer several years back. If you're comfortable doing it, you could certainly write your own parsing code using XSLT (blech) or use an xml parsing library in python, perl, etc. However, I found that there was enough domain-specifc information and some logic required to know

Re: [spctools-discuss] Installing TPP on Unix Red Hat 5.4

2010-09-02 Thread Natalie Tasman
Hi Chanchal, Take a look at the prerequisites which are listed for Centos. The TPP is tested on fairly recent versions of Centos, which is very similar similar to recent versions of RedHat Enterprise. This file,

Re: [spctools-discuss] Re: TPP 4.4.0 on mac os x 10.6.4 problem

2010-08-25 Thread Natalie Tasman
Bjorn, As you already have macports installed, I suggest that you temporarily move the sourceforge version of gnuplot out of the way, and then try sudo port install gnuplot. -Natalie On Wed, Aug 25, 2010 at 12:22 PM, Bjorn caveman.bj...@gmail.com wrote: I found that the png has something to

Re: [spctools-discuss] TPP 4.4.0 on mac os x 10.6.4 problem

2010-08-24 Thread Natalie Tasman
Hi Bjorn, Looking at the error, I see that somehow it looks like you have a comma-character in the filename 100805.LC2.IT2.XX.P01070_2-A,10_01_805.1940848714.gp ^ Please rename without this illegal character, try your analysis again, and let us

Re: [spctools-discuss] installing TPP on Mac os 10.6.4

2010-08-13 Thread Natalie Tasman
Hi Bjorn, If you can wait a bit for the upcoming TPP 4.4.0 release, I'll be glad to lend my experiences. I routinely build on 10.6.4. -Natalie On Fri, Aug 13, 2010 at 5:33 AM, Bjorn caveman.bj...@gmail.com wrote: Hi, I'm trying to get TPP running on my computer (mac os 10.6.4) by following

Re: [spctools-discuss] Error converting .d to mzxml

2010-07-20 Thread Natalie Tasman
: Meant, Natalie not Nicole. J apologies. *From:* spctools-discuss@googlegroups.com [mailto: spctools-disc...@googlegroups.com] *On Behalf Of *Natalie Tasman *Sent:* Friday, July 16, 2010 5:52 PM *To:* spctools-discuss@googlegroups.com *Subject:* Re: [spctools-discuss] Error converting .d

Re: [spctools-discuss] Error converting .d to mzxml

2010-07-16 Thread Natalie Tasman
Some simple advice: try the most recent version of msconvert from the ProteoWizard project (an older version is included with the current TPP release, but bugs may have been fixed since then). MassHunter is no longer actively maintained and will likely be retired in the upcoming TPP release.

Re: [spctools-discuss] Is TPP incompatible with Perl 5.12 ?

2010-07-09 Thread Natalie Tasman
The versions of perl you mention which the installer checks for were ones available at the time of the last release, and we didn't want to use versions which we didn't test against. The quickest fix for you would be to just use perl 5.10, if that's possible. Otherwise, the installer logic for

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

2010-06-30 Thread Natalie Tasman
It is possible to try the same analysis on the latest version of the TPP and see if the problem has been already addressed? Please let us know. If you still find the issue after testing the latest software, please upload test files to the newsgroup's file section which generate the same issue,

Re: [spctools-discuss] ReAdW.exe Crashes When Doing mzML

2010-06-24 Thread Natalie Tasman
Yep-- use msconvert for anything mzML. It's included with the TPP, and you will find a more recent version (recommended) from the ProteoWizard website. -Natalie On Thu, Jun 24, 2010 at 10:12 AM, Jesse J firstblackphan...@gmail.com wrote: Up till now I have just had ReAdW output mzXML, but when

Re: [spctools-discuss] Re: How to add search engine names to the pepXML search_summary entity, search_engine attribute enumeration?

2010-06-24 Thread Natalie Tasman
Hi Nathan, The search engines in pepXML are those which have been specifically tested with the TPP. Regarding Matt's suggestion: as far as I understand, the PSI groups are moving towards a new analysis standard: http://psidev.info/index.php?q=node/319. I haven't worked with that standard or

Re: [spctools-discuss] Re: How to add search engine names to the pepXML search_summary entity, search_engine attribute enumeration?

2010-06-24 Thread Natalie Tasman
though they've had the code for about a year. I know that Spectrum Mill and Phenyx have pepXML output as well. Our group doesn't much care about validation errors due to an incomplete schema enumeration, but having it in there would be nice. -Matt On 6/24/2010 1:19 PM, Natalie Tasman wrote

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

2010-05-26 Thread Natalie Tasman
And if it's not working, just make sure that JAVA_HOME isn't defined and the build will skip PepC. -Natalie On Mon, May 24, 2010 at 9:49 AM, Brian Pratt brian.pr...@insilicos.com wrote: Hi Oded, You'll need Java 1.6 - turns out javax.swing.table.TableRowSorter isn't in 1.5.  Can you readily

Re: [spctools-discuss] Re: Peptide and Protein Prophet Documentation

2010-05-18 Thread Natalie Tasman
1) A guided tour of the Trans-Proteomic Pipeline http://www3.interscience.wiley.com/journal/123261300/abstract?CRETRY=1SRETRY=0 2) http://tools.proteomecenter.org/wiki/index.php?title=TPP_Demo2009 -Natalie On Mon, May 17, 2010 at 12:32 PM, Jesse J firstblackphan...@gmail.com wrote: Um...that

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

2010-05-14 Thread Natalie Tasman
I have not moved on to testing Ubuntu 10, but I have tested the latest release on 8 and 9 (.04 and .10), and have scripts for installing all required prerequisites on those systems (and some others) under svn trunk tpp's installer_linux directory. Start by taking a look there. Once you have the

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

2010-05-14 Thread Natalie Tasman
Thank you, David. Ubuntu 10 users (or any other system), please feel free to add notes or pages to the wiki. Email me if you need an account there. :) Natalie On Fri, May 14, 2010 at 12:06 PM, David Trudgian david.trudg...@path.ox.ac.uk wrote: Hi Jesse, This problem occurs because

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

2010-05-12 Thread Natalie Tasman
When I hear audit I think of the mzML format instead of mzXML; you're likely to find much more detailed metadata and clarification of software-derived data in the newer format. mzML is also provided by msconvert from ProteoWizard (and included with the TPP). -Natalie On 5/12/10 8:53 AM,

Re: [spctools-discuss] Running msconvert on linux

2010-05-06 Thread Natalie Tasman
Hello, I am forwarding this message to the ProteoWizard support list as well. I don't know that anyhow has reliably gotten the converter software to run under wine; at least for the the SPC converters (readw, masswolf, trapper) wine is not a supported environment. -Natalie On Thu, May 6, 2010

Re: [spctools-discuss] Problem installing TPP

2010-04-22 Thread Natalie Tasman
Jacques, I'm wondering if 64-bit perl installs to C:\Perl64 or something similar, rather than the expeted C:\Perl. Can you please check? Thanks, Natalie On 4/22/10 3:08 AM, Jacques wrote: Hi everyone I'm trying to install TPP (TPP_Setup_v4_3_JETSTREAM_rev_1.exe) on an x64 Windows 2003 R3

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

2010-04-01 Thread Natalie Tasman
The TPP's version of X!Tandem also uses expat, FYI. -Natalie On 4/1/10 2:14 AM, dctrud wrote: Brian, Matt, It now works nicely with all offset variables using boost::int64_t (not unsigned as there is some setting to -1 in the code and within expat the offsets are signed). Am able to work with

Re: [spctools-discuss] Unable to access xml file via webserver

2010-03-16 Thread Natalie Tasman
Hi Val, This doesn't answer your questions, but right off the bat, I would suggest dropping IE6 in favor of a modern, browser such as firefox, chrome, or safari. IE6 is no longer popular due to security issues as well as lack of standards, which the TPP is designed and tested against. For

Re: [spctools-discuss] Active Perl 5.8.9.826 no longer available

2010-03-09 Thread Natalie Tasman
I see that in the current TPP (4.3.1) installer, we say TPP requires ActivePerl version 5.8.8 or 5.10.x (available for free ActiveState, but we are not allowed to distribute it directly). Please install ActivePerl from [... ] and try the TPP installer again. However I see that the links we

Re: [spctools-discuss] protXML format

2010-03-09 Thread Natalie Tasman
I am curious what version of the TPP you're trying to use. The current windows installer should install and configure almost everything for you (expect for ActivePerl, which you must install on your own; see the related thread from today.) Why do you need VisualBasic? Also Java is not

Re: [spctools-discuss] Converting .RAW files

2010-03-09 Thread Natalie Tasman
I haven't worked with that Perl module. But I would strongly suggest that you first get the most current version of proteowizard's mscovert working from the command-line, and then run this program as a shell command from perl. msconvert, the recommended raw file converter, is under rapid

Re: [spctools-discuss] Re: XTandem search

2010-03-09 Thread Natalie Tasman
To distribute your files, you could try posting them on the groups' 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 -

Re: [spctools-discuss] Re: ASAPRatioProteinRatioParser Performance

2010-02-04 Thread Natalie Tasman
Hi Dave, Brian, Just jumping into comment on Boost. Yes, it is welcomed and in fact already used in the TPP (as well as the TPP-included ProteoWizard project); however, because the Boost API and process of building Boost libraries have not been particularly stable, we've found it necessary

Re: [spctools-discuss] use ReAdw with RAW file generated by MALDI LTQ XL

2010-02-02 Thread Natalie Tasman
Hello, Have you tried the newer msconvert program, from the ProteoWizard project? msconvert is included with the TPP; also, you may find a newer version on the ProteoWizard website. Please let us know how it goes. -Natalie On 2/1/10 4:05 PM, yinyin wrote: Hello all, In my case, ReAdw

[spctools-discuss] Re: using system libs for extern deps on linux build

2009-11-11 Thread Natalie Tasman
Hi Angel, I'm not familiar with Chef, but I am working on exactly this kind of build process re-engineering. For various reasons (which I can detail if interested,) I've decided to go with the tried and true autotools system, and you can see the work that I'm doing in tpp's SVN under

[spctools-discuss] Re: building on windows

2009-11-09 Thread Natalie Tasman
Hi Bill, For 4.3.x, I moved everything that was still needed from win_lib into trunk/extern. I did this because people often didn't understand that they had to download both directories (tpp and win_lib), and/or that win_lib needed to match the exact version of tpp. I maintained the Visual

[spctools-discuss] Re: Compile on OS X 10.6 snow leopard

2009-11-02 Thread Natalie Tasman
Thank you, Angel. By the way, I've also switched to MacPorts (vs Fink) for future TPP development work, but haven't yet tested the TPP with 10.6 (I'm waiting until 10.6.2 at least), so this is appreciated. -Natalie On Mon, Nov 2, 2009 at 12:32 PM, Angel delag...@gmail.com wrote: I use

[spctools-discuss] Re: how is xtandem fval calcualted

2009-10-08 Thread Natalie Tasman
seem, yet, like a complicated enough problem to truly require one. And using print statements is surely your quickest least intrusive route to getting more information, since it can be done immediately, if you can already build successfully. --Brendan On Oct 6, 10:37 am, Natalie Tasman

[spctools-discuss] Re: how is xtandem fval calcualted

2009-10-06 Thread Natalie Tasman
Hi Bill, While the currently support Visual Studio version for the TPP is the (not-free) 2005 Professional version, you might want to first give the (free) 2008 Express version a try. You would not be able to build the SPC raw file converters (readw, etc), and you will probably turn up a

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

2009-10-06 Thread Natalie Tasman
Just a reminder that trapper was developed and tested under 32-bit Windows XP only. I have no idea if it works under Vista, or 64-bit. You might want to look at the msconvert (included with the TPP) from ProteoWizard; this program will replace trapper in the near future. -Natalie On Oct

[spctools-discuss] Re: Failure with make

2009-09-28 Thread Natalie Tasman
install' I'm back with the error message Makefile.incl:431: /Makefile.pwiz.incl: No such file or directory make: *** No rule to make target `/Makefile.pwiz.incl'.  Stop. I am not using Ubuntu, but Debian. On Sep 4, 8:40 pm, Natalie Tasman natalie.tas...@insilicos.com wrote

[spctools-discuss] Re: Failure with make

2009-09-25 Thread Natalie Tasman
errors, but when I run try to run 'make install' I'm back with the error message Makefile.incl:431: /Makefile.pwiz.incl: No such file or directory make: *** No rule to make target `/Makefile.pwiz.incl'. Stop. I am not using Ubuntu, but Debian. On Sep 4, 8:40 pm, Natalie Tasman natalie.tas

[spctools-discuss] Re: Failure with make

2009-09-25 Thread Natalie Tasman
. On Sep 4, 8:40 pm, Natalie Tasman natalie.tas...@insilicos.com wrote: Hi Eliza, At this point, it might be worthwhile trying to compile the TPP on another linux distribution that works well. For example, Ubuntu 8.04. Then, I'd be sure to run the correct install

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

2009-09-22 Thread Natalie Tasman
Also, consider upgrading to TPP 4.3.1, which contains several bug fixes. -Natalie On Sep 22, 2009, at 8:32 AM, Brian Pratt wrote: If it's really the same problem, then it's not a surprise that those files don't exist, since the protXML file didn't get created, because the pepXML file

[spctools-discuss] Re: Question about Apache

2009-09-21 Thread Natalie Tasman
In other words, you can access the TPP's web interface through your usual web browser (like firefox, IE, chrome, safari, etc), but instead of going to a website out on the internet, you're going to a website that's running locally on your computer, through the installed Apache webserver on your

[spctools-discuss] Re: Problems with TPP installation

2009-09-15 Thread Natalie Tasman
Is it possible for you to completely uninstall your old version of Apache, and then rerun the TPP installation? This should install, and then properly configure Apache 2.2. -Natalie On Sep 15, 2009, at 11:32 AM, Michael wrote: David, I have a previous version of Apache installed

[spctools-discuss] Re: ActivePerl 5.8.9.826 ?

2009-09-15 Thread Natalie Tasman
Sure, any 5.8.x series perl will work, and whatever the latest thing that Active Perl recommends is fine. -Natalie On Sep 15, 2009, at 12:12 PM, AndrewK wrote: I am about to load TPP on a new workstation. ActiveState shows 5.8.9.826 as the available binary download for x86 (winXP SP3).

[spctools-discuss] re: ReAdW DLL installation location

2009-09-15 Thread Natalie Tasman
version sensitive in previous releases, so it was a good question, and the right answer. - Brian On Tue, Sep 15, 2009 at 1:17 PM, Natalie Tasman natalie.tas...@insilicos.com wrote: Sure, any 5.8.x series perl will work, and whatever the latest thing that Active Perl recommends is fine

[spctools-discuss] Re: Where to put ExtractMSN and dll's for .RAW file conversion.

2009-09-15 Thread Natalie Tasman
Hello Andrew, Please refer to my previous reply to your questions (topic: ReAdW DLL installation location). In short: ReAdW is not based on Extract_MSN. It is a different program and has different requirements than Mascot Daemon (which comes from Matrix Science, not the TPP). Rather,

[spctools-discuss] Re: Alternative interfaces, licensing etc...

2009-09-14 Thread Natalie Tasman
I'm not a lawyer, but for what it's worth, a quick Google search suggests that CDDL might be distributable with LGPL:

[spctools-discuss] Re: mzwiff problem - some lines with AAAAAAAAAAA

2009-09-10 Thread Natalie Tasman
And by the way, the AAA string that you see is just the encoding for an empty scan (as you've already seen, peaksCount will be 0 for these scans.) On Sep 10, 2009, at 10:45 AM, Brian Pratt wrote: I expect you'll find the difference between those computers is that they have

[spctools-discuss] new TPP release: 4.3.1 (4.3 revision 1)

2009-09-09 Thread Natalie Tasman
We are proud to offer an update to the Trans-Proteomic Pipeline (TPP) software, release 4.3.1 (4.3 revision 1). The software is available for Windows as well as linux (and unofficially) through osx source from all the usual locations (please see the section below, Getting the software). Most

[spctools-discuss] Re: RAW to mzXML (and mzXL) problem TPP4.3

2009-09-09 Thread Natalie Tasman
Hello Oded, Please see the recently released 4.3.1 version of the TPP, which contains the fix that you mention. Best wishes, Natalie On Sep 9, 2009, at 12:49 PM, Oded wrote: Hi , Is it possible to get this bug fix (thanks again Brian) into windows installation package? Thanks, Oded

[spctools-discuss] Re: Ubuntu/Debian/RedHat TPP packages?

2009-09-08 Thread Natalie Tasman
Hi Mike, Thanks for your efforts with helping Eliza, and for your good thoughts and comments. I'd like to respond to a few things: 1) Boost in the TPP: I'd like to clarify how we've set things up. The included Boost under tpp/extern is compiled and used without any system interactions

[spctools-discuss] Re: readw MS/MS precursor mass wrong

2009-09-08 Thread Natalie Tasman
Hello Dominik, Jimmy, Besides my recommendation to try msconvert, which is the program with more developer focus at this point, there is already a command-line option in the 4.3 series ReAdW program. I'd added this feature because Thermo's software did not understand which scan to report

[spctools-discuss] Re: Failure with make

2009-09-04 Thread Natalie Tasman
Hi Eliza, At this point, it might be worthwhile trying to compile the TPP on another linux distribution that works well. For example, Ubuntu 8.04. Then, I'd be sure to run the correct install prerequisites file from tpp/installer_linux to make sure all the required system packages are

[spctools-discuss] Re: OS limitations?

2009-09-03 Thread Natalie Tasman
Hi Andrew, Currently, 32-bit XP with current service packs is the supported and tested Windows OS for the TPP, although if you search this newsgroup you'll find people's experiences with 64-bit and Vista. My impression is that things don't necessary work out of the box for the TPP, due to

[spctools-discuss] Re: Failure with make

2009-08-13 Thread Natalie Tasman
: /Makefile.pwiz.incl: No such file or directory make: *** No rule to make target `/Makefile.pwiz.incl'. Stop. On Aug 5, 10:25 pm, Natalie Tasman natalie.tas...@insilicos.com wrote: Hi Eliza, It sounds like something strange is going on. Maybe you should re- load the sourcecode. Also, I've

[spctools-discuss] Re: Can't get the last version TPP

2009-08-11 Thread Natalie Tasman
Hello Bright, That link is correct. SourceForce (the hosting site) may have been temporarily inacessible, but I just tried it and it works. For Windows, you want to find TPP v4.3 (jetstream) rev 0 and download the setup exe file. Natalie On Tue, Aug 11, 2009 at 9:23 AM,

[spctools-discuss] new TPP release: 4.3.0 (4.3 revision 0)

2009-08-07 Thread Natalie Tasman
Trans-Proteomic Pipeline (TPP) 4.3.0 release notes We are proud to offer a major update to the Trans-Proteomic Pipeline (TPP) software, release 4.3.0 (4.3 revision 0). The software is available for Windows as well as linux (and unofficially) through osx source from all the usual locations

[spctools-discuss] Re: bug: file XML_sample_files.tgz is corrupted in 4.2.1

2009-08-06 Thread Natalie Tasman
Thanks, Mike. And yes, this is the preferred place for technical discussions (patches, bug reports) as well. Natalie On Aug 6, 2009, at 8:52 AM, tutu...@gmail.com wrote: $ gzip --test XML_sample_files.tgz gzip: XML_sample_files.tgz: invalid compressed data--format violated My

[spctools-discuss] Re: Failure with make

2009-07-31 Thread Natalie Tasman
Hi Eliza, I haven't run into this before, but you may want to try a make distclean; make sequence. I would also look at the compiler output earlier in the stream and see if there were any uncaught errors building the AminoAcid that might provide a clue. Please let us know how it goes,

[spctools-discuss] Re: xinteract returns 0 for all peptide prophet probabilities

2009-07-29 Thread Natalie Tasman
Hi Scott, Thanks for your feedback and I'm glad David is taking a look. I just want to remind everyone that svn trunk (which you're working with) is development code. If you want stable results stick with the official releases. -Natalie On Tue, Jul 28, 2009 at 6:35 PM, Scott

[spctools-discuss] Re: Database SEQUEST search SLOW!

2009-07-17 Thread Natalie Tasman
directly to .pep.xml files using mspire.  Its not much of a pipeline anymore but it does the job. Regards Ali On Jul 15, 9:19 pm, Natalie Tasman natalie.tas...@insilicos.com wrote: Hi Ali, Greg made some good comments on your post regarding the Sequest search engine.  I'm curious

[spctools-discuss] Re: trapper feature request

2009-07-17 Thread Natalie Tasman
Hi David, This is an operating system issue, not due to the trapper program itself, and the answer will be the same for any command-line program. Simply surround the entire filename with quotes, and that should do the trick. (Consider that without quotes, the program has no way to know for sure

[spctools-discuss] Re: Database SEQUEST search SLOW!

2009-07-17 Thread Natalie Tasman
files using mspire.  Its not much of a pipeline anymore but it does the job. Regards Ali On Jul 15, 9:19 pm, Natalie Tasman natalie.tas...@insilicos.com wrote: Hi Ali, Greg made some good comments on your post regarding the Sequest search engine.  I'm curious as to what search engine

[spctools-discuss] Re: XTandem Error on non-centrioded files

2009-07-16 Thread Natalie Tasman
Natalie Tasman wrote: Hi Chris, Just a reminder that the masswolf centroid mode is experimental, as noted in the usage statement. Matt, how is PWIZ centroiding? Can msconvert be used to apply this signal processing and output a processed mzXML file? -Natalie On Wed, Jul 15

[spctools-discuss] Re: XTandem Error on non-centrioded files

2009-07-15 Thread Natalie Tasman
Hi Chris, Just a reminder that the masswolf centroid mode is experimental, as noted in the usage statement. Matt, how is PWIZ centroiding? Can msconvert be used to apply this signal processing and output a processed mzXML file? -Natalie On Wed, Jul 15, 2009 at 11:57 AM, Chris Hughes

[spctools-discuss] Re: Can't covert to mzXML

2009-07-08 Thread Natalie Tasman
, but doesn't generate the mzXML file. I suppose what I want to know is this: When the GUI version runs the command 'ReAdW etc' where does it read the ReAdW file from? In another words, How can I know the path from which the GUI runs ReAdW? Thanks Ali On Jul 7, 6:02 pm, Natalie Tasman natalie.tas

[spctools-discuss] Re: build error rev4452, mingw/winXP

2009-07-08 Thread Natalie Tasman
Hi Jake, Sorry to hear that you ran into a glitch. We're making some changes to the way we integrate ProteoWizard (pwiz) and the TPP. You might want to either revert to a slightly earlier (unstable dev) trunk revision, or switch to the (stable) production 4.2.1 branch. Best, Natalie

[spctools-discuss] Re: build error rev4452, mingw/winXP

2009-07-08 Thread Natalie Tasman
Hi Jake, It sounds like an issue with the boost libraries. In trunk, I've moved those into the actual trunk branch and they should be automatically built for you. However in 4.2.1, you need to also have the corresponding win_lib directory checked out (for example, if you have tpp from

[spctools-discuss] Re: Can't covert to mzXML

2009-07-07 Thread Natalie Tasman
Hello Ali, It sounds like you're using the command-line version of the converter (ReAdW). The easiest way to get started with the TPP on Windows is to download the complete TPP installer, which will set up and configure a web-based interface. This interface should be a lot easier to use. If you

[spctools-discuss] Re: MassWolf 4.2.1 problem

2009-07-06 Thread Natalie Tasman
Hi MIchelle, This program was not tested under Vista, and I'm not sure if it works. I recommend XP or 2003 if you have access. But some quick checks: do you have Waters MassLynx installed on the same machine, and can you open the file in question under MassLynx? Also, I'm not sure if

[spctools-discuss] Re: pepXML

2009-07-01 Thread Natalie Tasman
Hello Antonio, The mzXML files should correspond to the same raw file input used for your Sequest search. For example if starting from a Thermo .raw file, you'd convert that mzXML, search that, and then convert the search results to pepXML. Note that the pepXML files refer to specific

[spctools-discuss] Re: QTOF Raw to mzXML failure

2009-06-25 Thread Natalie Tasman
in the process of development? Bernard On Jun 25, 5:46 am, Natalie Tasman natalie.tas...@insilicos.com wrote: Hello, First, you might want to check that the file extention is indeed .raw and not .RAW. Capitalization might make a difference. Can you open this file in the Waters

[spctools-discuss] Re: QTOF Raw to mzXML failure

2009-06-25 Thread Natalie Tasman
error msg in command prompt and Windows pops up a masswolf.exe has encountered a problem and needs to close error report. Is the centroiding function still in the process of development? Bernard On Jun 25, 5:46 am, Natalie Tasman natalie.tas...@insilicos.com wrote: Hello, First, you

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

2009-06-25 Thread Natalie Tasman
is comitted so that I can continue with some small tests ;-) Cheers Andreas On Jun 24, 2009, at 9:49 PM, Natalie Tasman natalie.tas...@insilicos.com wrote: Hello Andreas, I have fixed the problem in trunk's Makefile.incl. Please note that we're still waiting for another fix to get

[spctools-discuss] Re: X!Tandem k-score on Linux

2009-05-05 Thread Natalie Tasman
Hello Gautam, The version of X!Tandem which is bundled with both Windows and linux versions of the TPP includes the k-score plugin. We routinely use this algorithm on both systems. -Natalie On May 5, 2009, at 9:07 AM, Taejoon Kwon wrote: Hi Gautam, I am running X!Tandem with k-score

[spctools-discuss] Re: trapper beta 4.2.1 and checksum calculation issue for big files

2009-05-05 Thread Natalie Tasman
to: E08_101023_SchizoS1.mzXML.new - I guess this is not so important since this does not disturb the subsequent workflow, but I just wanted to mention this to you. Thanks again, Best, Ludovic On Apr 1, 10:08 pm, Natalie Tasman ntas...@systemsbiology.org wrote: Hello Ludovic

[spctools-discuss] Re: mzXML-mgf conversion for 'msLevel'=1

2009-05-04 Thread Natalie Tasman
Hi Ilya, Did you try using the parameter switch I suggested for specifying the level? -Natalie On Mon, May 4, 2009 at 2:09 AM, Ilya.Agron ilya.ag...@gmail.com wrote: to Natalie: I've downloaded the latest version of TPP and reinstalled it. Strange, it doesn't process anything. When I

[spctools-discuss] Re: mzXML-mgf conversion for 'msLevel'=1

2009-05-04 Thread Natalie Tasman
Eli, PS-- probably you have seen that the same options you have in MassHunter for deisotoping are available for the trapper converter when run from the command-line? -Natalie On Mon, May 4, 2009 at 2:09 AM, Ilya.Agron ilya.ag...@gmail.com wrote: to Natalie: I've downloaded the latest

[spctools-discuss] Re: mzXML-mgf conversion for 'msLevel'=1

2009-04-29 Thread Natalie Tasman
Hi Illya, MsXML2Search is the current version of the TPP tool that does this (MsXML2Other is retired). It's included with the TPP, and you can see all of the options by running this program without any arguments. To specify MS level besides the default of 2, use the -M option. Please

[spctools-discuss] Re: XCMS error message and Q about MZmine

2009-04-27 Thread Natalie Tasman
Hi there Jamie, Just to be clear, the two programs that you mentioned aren't from the Seattle Proteome Center (SPC), and you might find more support if you write directly to those programs' maintainers. But if anyone else on the list has experience, of course they are welcome to respond here.

[spctools-discuss] Re: TPP vs Scaffold

2009-04-24 Thread Natalie Tasman
Hello Federico, It's definitely not a stupid question. As you know, Scaffold is a commercial product. They claim a reimplementation of some of the TPP's core algorithms from the original publications. In the years since those publications, there have been continual improvements and refinements

[spctools-discuss] Re: no spectra in Pep3D

2009-04-20 Thread Natalie Tasman
which seems to be incorrect. What do you think? Thanks, Federico On Apr 17, 7:25 pm, Natalie Tasman ntas...@systemsbiology.org wrote: Hi Federico, I've changed the title of this thread to reflect the issue at hand.  Can you see the spectra through alternate means?  For example, for the same

[spctools-discuss] no spectra in Pep3D

2009-04-17 Thread Natalie Tasman
Hi Federico, I've changed the title of this thread to reflect the issue at hand. Can you see the spectra through alternate means? For example, for the same file, use the PepXMLViewer to find the ID with the same scan number and click on the ions link. -Natalie On Fri, Apr 17, 2009 at 8:35 AM,

[spctools-discuss] Re: Converting from XCalibur *.raw

2009-04-17 Thread Natalie Tasman
to start. -Natalie On Fri, Apr 17, 2009 at 3:10 AM, brennmat brenn...@gmail.com wrote: On Apr 16, 6:29 pm, Natalie Tasman ntas...@systemsbiology.org wrote: Hi Mattias, To get started with Xcalibur, you might want to look at the XDK for examples. That's what I did. I looked at the HTML

[spctools-discuss] Re: Converting from XCalibur *.raw

2009-04-16 Thread Natalie Tasman
Hi Mattias, To get started with Xcalibur, you might want to look at the XDK for examples. But I do think it will be easier if you can just use and/or adapt existing tools. I know that Matt from the ProteoWizard (PWIZ) project (including in the TPP) has been interested in parsing chromatogram

[spctools-discuss] Re: Save subset of pepXML to a file

2009-04-16 Thread Natalie Tasman
Hi Oded, You are correct; this was a feature with a very old version of the pepXML display that isn't currently active. The current viewer is strictly read-only, so far. This hasn't been a very high priority so far as xinteract and the prophets do the most common filtering (probabilities), but

[spctools-discuss] Re: Limit on number of pep.xml files that can be analyzed with XInteract?

2009-04-16 Thread Natalie Tasman
Hi Kristian, Also, 4.2.1 contained many bug fixes. I'm not sure if this would have been addressed, but it's always most efficient for us if you can try to replicate the issue on the latest version. -Natalie On Thu, Apr 16, 2009 at 12:42 PM, Christine Vogel vogel@gmail.comwrote: I have

[spctools-discuss] Re: Building TPP from Sashimi SVN code with MSVC 2005 SP1: a few fixes may be needed?

2009-04-14 Thread Natalie Tasman
...@gmail.com wrote: Hi Natalie, I would like to note that (4) is *necessary* for building TPP with MSVS 2005 SP1 *if* MSVS 2008 has been installed under the same Windows. Regards Dmitrii Natalie Tasman wrote: Hi Dmitri, I may have misunderstood you in 2) above: you do want

[spctools-discuss] Re: Building ReAdW

2009-04-13 Thread Natalie Tasman
I doubt that you are actually trying to access the old Agilent2mzXML code (which is no longer supported here, actually-- Trapper is the current Agilent .d MassHunter converter.) That xml_out might be specific to the old Agilent2mzXML project. You will be better served searching the SVN

[spctools-discuss] Re: Building TPP from Sashimi SVN code with MSVC 2005 SP1: a few fixes may be needed?

2009-04-13 Thread Natalie Tasman
Hi Dmitri, Thanks for sharing your notes. Hopefully you found some of the text in the README_WIN.txt file at the top level helpful as well. Reponding to your points: 2) qualscore is not used by the TPP build process, but is required by the TPP installer build process. Win_lib *is* extensively

[spctools-discuss] Re: Building ReAdW

2009-04-13 Thread Natalie Tasman
as well. -Natalie On Mon, Apr 13, 2009 at 2:17 PM, Carl Manaster carl.manas...@gmail.comwrote: Hi, Natalie, Again, thanks for the prompt response. On Apr 13, 1:31 pm, Natalie Tasman ntas...@systemsbiology.org wrote: I doubt that you are actually trying to access the old Agilent2mzXML code

[spctools-discuss] Re: build error

2009-04-13 Thread Natalie Tasman
Hi Bill, Regarding your first message: Sounds like your running into incompatibilities with your boost version and the expected version. In this older version of the TPP, you'll want to look in the Makefile and possibly edit that file to match the installed versions on your machines; Boost

[spctools-discuss] Re: Building ReAdW

2009-04-13 Thread Natalie Tasman
Hi Carl, One last suggestion: MzXML2Search -dta will produce a directory of dta files corresponding to your mzXML file. And also, look at MzXML2Search, which has some filter options of it's own. Here's an idea that's less efficient with CPU and disk, but I wonder if you could save some effort

[spctools-discuss] Re: Building TPP from Sashimi SVN code with MSVC 2005 SP1: a few fixes may be needed?

2009-04-13 Thread Natalie Tasman
Hi Dmitri, I may have misunderstood you in 2) above: you do want to download qualscore, trans_proteomic_pipeline, and win_lib (either from trunk or whatever branch you're working in)-- the other directories are not needed, as you suggested. -Natalie On Mon, Apr 13, 2009 at 1:40 PM, Natalie

[spctools-discuss] Re: Building ReAdW

2009-04-10 Thread Natalie Tasman
Look in tpp/src/release (or debug, depending on your build configuration.) -Natalie On Fri, Apr 10, 2009 at 9:03 AM, Carl Manaster carl.manas...@gmail.comwrote: Hi, Natalie, All of this said, assuming that you have VS2005 Professional: 1) check out trunk/tpp 2) check out trunk/win_lib

[spctools-discuss] Re: Building ReAdW

2009-04-10 Thread Natalie Tasman
PS-- you can find this by looking at the project properties. If there's a macro like (SOLUTION_DIR) you can edit the field and click a little macro button to see what those expand too-- at least on VS 2005 Pro. Best, N On Fri, Apr 10, 2009 at 10:41 AM, Natalie Tasman ntas...@systemsbiology.org

[spctools-discuss] Re: noise threshold in .mgf

2009-04-09 Thread Natalie Tasman
if you'd like me to build a binary for you for windows or linux. Best, Natalie On Wed, Apr 8, 2009 at 10:12 AM, Natalie Tasman ntas...@systemsbiology.orgwrote: Hello Ben, Last year I spent quite a lot of time working with Agilent to exactly replicate the behavior of their MassHunter mzData

[spctools-discuss] Re: Building ReAdW

2009-04-09 Thread Natalie Tasman
Thanks, Matt. That's great to learn that you've found the MFC dependency to be unnecessary! -Natalie On Thu, Apr 9, 2009 at 2:17 PM, Matthew Chambers matthew.chamb...@vanderbilt.edu wrote: Hi Carl, MFC is not actually a requirement for using XRawfile, only COM. As far as I can tell,

[spctools-discuss] Re: Building ReAdW

2009-04-09 Thread Natalie Tasman
Hi Carl, I'm glad to hear it. Again, you're on your own with anything except VS 2005 Professional (at least for official support.) It's quite helpful to hear your experiences, and please feel free to contribute any useful code and/or build changes that you come up with. -Natalie On Thu, Apr

[spctools-discuss] Re: noise threshold in .mgf

2009-04-08 Thread Natalie Tasman
Hello Ben, Last year I spent quite a lot of time working with Agilent to exactly replicate the behavior of their MassHunter mzData exporter, including thresholding. I'm sorry that this isn't working for you. These threshold flags should work. As you know from beta-testing the

  1   2   >