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Lorenz Blum edited this page Jan 7, 2016 · 3 revisions

Introduction

Enable easy deployment of tpp search library creation and swath workflows on windows and linux.

Project website (?)

  • create

Search and Library creation

  • tpp search workflow up to protein prophet (15.01.2015)
  • library creation workflow - builds on search workflow (22.01.2015)

SearchCake -> python package

searchWF.py - (WW) libraryCreateWF.py - (LB)

SearchCake_Binaries (windows and linux binaries) - (WW) SearchCake_Data (testdata) - (WW)

openSwath - including pyprophet - including feature aligment - including requant

SwathCake - (LB)

swathWF.py - (LB)

SwathCake_Binaries (windows and linux binaries) -> python package (LB)

  • openswathworkflow.exe
  • pyprophet
  • msproteomicstools (feature aligner requant)

SwathCake_Data (WW i.e. 5 files from Gold standard, mzXML)

fileConversion

conversion pipeline - msconvert - qtofpeakpicker - swath windows update

MSConvertCake -> python package MSConvertCake_Data -> DDA sample, SWATH gold standard wiffs (WW). MSConvertCake_Binaries -> python package (WW/LB)

Packing

python packages for workflow and binaries -> git repo fors data

Docker (CP)

Configuration (WW)

specify / find binaries?

  • executable in path
  • executable from package

Python package has class which returns path to exectuble either from path variable or if not in path to the executable shipped with package

Set path to exectuble into ini file Write ini file into working directory Start Workflow

  • location specified in ini file

Do not change ini

SUGAR (LB) (15.01.2015)

How to call the workflow:

In working directory there is an input.ini file for workflow.

searchWF.py --INPUT input.ini --OUTPUT output.ini --TPP /usr/bin/tpp/

  • find out how to pass input ini location to ruffus
  • additional parameters mit command line
  • ruffus workflows as apps - is this possible

pyporophet.py --INPUT input.ini --MPR_NUM_XVAL 35