[spctools-discuss] Re: help with data analysis for iTRAQ on LTQ Orbitrap with CID for peptide identification and HCD for reporter ion

2010-11-05 Thread dctrud
There is an ExPASy tool to merge CID/HCD spectra from a Mascot MGF format peaklist for this purpose. Can you go from RAW/MzXML/MzML into MGF, use this tool, and then convert to dta for SEQUEST? We've done iTRAQ on an XL, but only using PQD not mixed CID/HCD, so it's just a suggestion to try, can't

[spctools-discuss] Re: Anyone know a software can merge several mzXML files to one mzXML file?

2010-11-05 Thread dctrud
Hi, You don't need the mzXML file to be present to analyse the Mascot results with the TPP tools. You will lose certain functionality though, such as not being able to use the XPRESS / ASAPRatio quantitation tools for SILAC data etc. If you do have the mzXML files then the TPP tools work out

[spctools-discuss] Re: building tpp in VC8

2010-11-05 Thread dctrud
Just read this post and though I'd check our wine ReAdW output vs native XP using diff. Like Jeffrey we're using Trapper and ReAdW on Ubuntu (10.04 LTS), wine version 1.2. Were previously using it on Ubuntu 9.04 for over a year, with whatever version of wine that had. Never had any problems using

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] file permissions under Petunia/Windows

2010-11-05 Thread Luis Mendoza
I may also add that if your data is in a location other than the Windows default (C:\Inetpub\wwwroot\ISB\data\), you may need to make some tweaks to Petunia, and possibly Apache. This post (and thread) has good information on how to do it:

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

2010-11-05 Thread Joe Slagel
Brian is right. Try also looking in your log files to see what if any errors are being reported. These are typically located in paths similar to: C:\Program Files (x86)\Apache Software Foundation\Apache2.2\logs C:\Program Files\Apache Software Foundation\Apache2.2\logs On Fri, Nov 5, 2010 at

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

2010-11-05 Thread Vishal Swaroop
Hi Cristan, You can check the post mentioned by Luis, infact it was mine :) One correction, we also need tpp-bin folder along with wwwroot for data directory to be other than C drive. Thanks On Fri, Nov 5, 2010 at 2:41 PM, Joe Slagel jsla...@systemsbiology.orgwrote: Brian is right. Try

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

2010-11-05 Thread Jimmy Eng
I just tried readw on wine for the very first time this afternoon (version 1.2.1 on a RHEL 5.5 box); I'm impressed with how easy it was to setup. Both very old LCQ and new Orbi RAW files generated mzXML's that were *exactly* the same between wine and native Windows conversions. 'diff' returned

[spctools-discuss] Re: can not convert mzML from raw file

2010-11-05 Thread tgreco
I was having same problem with msconvert as described above (on windows 7 64-bit). I installed MSfilereader and newest Proteowizard package (to tpp-bin) as suggested. But now I receive a Caught Unknown Exception error: c:\Inetpub\tpp-bin\msconvert -v --mzML -o c:/Inetpub/wwwroot/ISB/data/

Re: [spctools-discuss] Re: help with data analysis for iTRAQ on LTQ Orbitrap with CID for peptide identification and HCD for reporter ion

2010-11-05 Thread tiannan guo
We have worked on merging PQD and CID spectra for iTRAQ before. Raw could be converted to mgf using extract_msn.exe packed in Sequest/Bioworks. I can provide a script to merge spectra with reporter peaks if you need. You may find some description of the method in JPR.7:4831. Now I have also

Re: [spctools-discuss] Re: can not convert mzML from raw file

2010-11-05 Thread Luis Mendoza
Hi Todd, This is most likely due to the Petunia's obsolete way to specify the centroiding option to msconvert. It should run just fine if you leave that off; I can send you a patch offline so that it works, or wait for our next release. Cheers, --Luis On Fri, Nov 5, 2010 at 6:40 PM, tgreco