Mercurial > repos > galaxyp > openms
diff readme.md @ 0:3070d71e0e5c draft
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author | bgruening |
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date | Thu, 16 Apr 2015 08:37:04 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/readme.md Thu Apr 16 08:37:04 2015 -0400 @@ -0,0 +1,101 @@ +Galaxy wrapper for OpenMS +========================= + +OpenMS is an open-source software C++ library for LC/MS data management and analyses. +It offers an infrastructure for the rapid development of mass spectrometry related software. +OpenMS is free software available under the three clause BSD license and runs under Windows, MacOSX and Linux. + +More informations are available at: + + * https://github.com/OpenMS/OpenMS + * http://open-ms.sourceforge.net + + +Installation +============ + +Galaxy should be able to automatically install the dependencies, i.e. +'package_openms_2_0' or 'package_qt_4_8' repository. + +The wrappers are included in https://testtoolshed.g2.bx.psu.edu/view/bgruening/openms. + + +Generating OpenMS wrappers +========================== + + * install OpenMS (you can do this automatically through the Tool Shed) + * create a folder called CTD + * inside of your new installed openms/bin folder, execute the following command: + + ```bash + for binary in `ls`; do ./$binary -write_ctd /PATH/TO/YOUR/CTD; done; + ``` + + * clone or install CTDopts + + ```bash + git clone https://github.com/genericworkflownodes/CTDopts + ``` + + * add CTDopts to your `$PYTHONPATH` + + ```bash + export PYTHONPATH=/home/user/CTDopts/ + ``` + + * clone or install GalaxyConfigGenerator + + ```bash + git clone https://github.com/TorHou/GalaxyConfigGenerator.git + ``` + + * If you have CTDopts and GalaxyConfigGenerator installed you are ready to generate Galaxy Tools from CTD definitions + + ```bash + python ./galaxyconfiggenerator/generator.py \ + -i /PATH/TO/YOUR/CTD*.ctd \ + -o ./wrappers -t tool.conf \ + -d OpenMS -g proteomics \ + -b version log debug test no_progress threads \ + in_type exe executable myrimatch_executable \ + omssa_executable pepnovo_executable \ + xtandem_executable \ + -l ListOfNeededTools.txt + ``` + +The list of needed Tools is a whitelist of all Tools that you want to create. It's simply a list of all tools separated by line breaks. +An example file is located under https://gist.github.com/bgruening/421f97d36c27443e5f35 + + + * As last step you need to change manually the binary names of all external binaries you want to use in OpenMS. For example: + + ``` + sed -i '10 a\-exe fido' wrappers/FidoAdapter.xml + sed -i '10 a\-executable msgfplus.jar' wrappers/MSGFPlusAdapter.xml + sed -i '10 a\-myrimatch_executable myrimatch' wrappers/MyriMatchAdapter.xml + sed -i '10 a\-omssa_executable omssa' wrappers/OMSSAAdapter.xml + sed -i '10 a\-pepnovo_executable pepnovo' wrappers/PepNovoAdapter.xml + sed -i '10 a\-xtandem_executable xtandem' wrappers/XTandemAdapter.xml + ``` + +Licence (MIT) +============= + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in +all copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN +THE SOFTWARE. +