pyopenms 2.3.0__zip
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/License.txt +52 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/__init__.py +54 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/__init__.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/all_modules.py +4 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/all_modules.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/docompile.py +35 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/docompile.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libOpenMS.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libOpenSwathAlgo.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libSuperHirn.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_1.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_2.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_3.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_4.so +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/python_extras.py +22 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/python_extras.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/qt_version_info.py +2 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/qt_version_info.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Elements.xml +1221 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Enzymes.xml +269 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/HMDBMappingFile.tsv +10104 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModel.scale +6 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModel.svm +626 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised2.scale +4 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised2.svm +559 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised5.scale +4 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised5.svm +1010 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MissedCleavage.model +229 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/NegativeAdducts.tsv +15 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/OMSSA_modification_mapping +158 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/PSI-MOD.obo +23804 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/PositiveAdducts.tsv +33 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Residues.xml +470 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/XLMOD.obo +623 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/XTandem_default_input.xml +181 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/unimod.xml +38885 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/brenda.obo +22923 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/goslim_goa.obo +823 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/psi-ms.obo +17899 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/psi-mzdata.obo +2920 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/qc-cv.obo +471 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/quality.obo +12581 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/unimod.obo +13214 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/unit.obo +2585 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPAS.appdata.xml +33 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPAS.desktop +10 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPView.appdata.xml +35 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPView.desktop +11 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/readme.txt +5 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/GUISTYLE/qtStyleSheet.qss +9 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/IDPool/IDPool.txt +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/IDPool/README +29 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/TraML-mapping.xml +171 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/ms-mapping.xml +187 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/mzIdentML-mapping.xml +221 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/mzdata-mapping.xml +158 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/PIP/codebooks.data +2 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/PIP/linearMapping.data +2 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/CTD_0_3.xsd +168 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_0.xsd +376 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_1.xsd +381 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_2.xsd +202 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_3.xsd +686 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_4.xsd +694 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_5.xsd +698 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_6.xsd +613 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_7.xsd +618 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/CvMapping.xsd +157 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_0.xsd +737 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_1.xsd +770 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_2.xsd +770 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_3.xsd +660 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_4.xsd +660 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_5.xsd +670 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_6.xsd +674 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_7.xsd +679 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_8.xsd +587 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_9.xsd +592 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FuGElightv1.0.0.xsd +1118 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_0.xsd +340 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_1.xsd +345 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_2.xsd +354 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_3.xsd +367 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_4.xsd +371 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_5.xsd +371 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_0.xsd +91 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_1.xsd +101 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_2.xsd +168 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_3.xsd +173 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_4.xsd +149 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_6_2.xsd +99 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ToolDescriptor_1_0.xsd +232 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TraML0.9.3.xsd +552 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TraML1.0.0.xsd +622 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TrafoXML_1_0.xsd +102 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/general_types_1.0.xsd +17 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzData_1_05.xsd +631 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzIdentML1.0.0.xsd +1339 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzIdentML1.1.0.xsd +1845 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_1_00.xsd +921 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_1_10.xsd +1119 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_idx_1_00.xsd +992 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_idx_1_10.xsd +1201 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzQCML_0_0_5.xsd +220 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzQuantML_1_0_0-rc2.xsd +1557 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_2_1.xsd +1 -1
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_3.1.xsd +1 -1
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_3.1_mod.xsd +686 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_idx_3.1.xsd +60 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/pepXML_v114.xsd +1448 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/protXML_v6.xsd +935 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/qcML_0.0.7.xsd +235 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/separation_technique_1.0.xsd +10 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/xQuest_1_0.xsd +210 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/InternalCalibration_Models.R +40 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/InternalCalibration_Residuals.R +57 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_acc.R +28 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_idmap.R +39 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_inj.R +27 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_rt_acc.R +31 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_setid.R +27 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_tic.R +23 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/Rscript_generic_example.R +88 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PEP.R +47 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PRT.R +104 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PSM.R +80 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/plot_trafo.R +126 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/THIRDPARTY/ReadMe.txt +9 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Hardkloer.ttd +109 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/LINUX/TPP_ProteinProphet.ttd +46 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/LINUX/mail.ttd +22 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/MSGFtoPercolator.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/MascotPercolator.ttd +42 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Percolator.ttd +29 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/QCExporter.ttd +51 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/RawDirConvert.ttd +25 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/ReadMe.txt +72 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_generic.ttd +42 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PEP.ttd +26 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PRT.ttd +26 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PSM.ttd +26 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_acc.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_idmap.ttd +33 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_rt_acc.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_setid.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_tic.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_trapfill.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/TEMPLATE.ttd_ +52 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/TPP_RefreshParser.ttd +28 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/WINDOWS/TPP_ProteinProphet.ttd +46 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/XTandemToPercolator.ttd +30 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/msconvert.ttd +25 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/APML_to_CSV.xsl +43 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/ConsensusXML.xsl +76 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/IdXML.xsl +210 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/QcML_report_sheet.xsl +548 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/XSL/index.html +97 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/sysinfo.py +47 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/sysinfo.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/version.py +1 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/version.pyc +0 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/PKG-INFO +108 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/SOURCES.txt +158 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/dependency_links.txt +1 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/not-zip-safe +1 -0
- media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/top_level.txt +5 -0
media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/XLMOD.obo
ADDED
|
@@ -0,0 +1,623 @@
|
|
|
1
|
+
format-version: 1.2
|
|
2
|
+
data-version: releases/2016-07-13
|
|
3
|
+
ontology: xlmod
|
|
4
|
+
date: 13:07:2016 17:08
|
|
5
|
+
saved-by: Gerhard Mayer
|
|
6
|
+
auto-generated-by: OBO-Edit 2.3.1
|
|
7
|
+
default-namespace: XLMOD
|
|
8
|
+
remark: namespace: XLMOD
|
|
9
|
+
remark: version: 1.0.0
|
|
10
|
+
remark: release date: 2016-07-13
|
|
11
|
+
remark: coverage: cross-linking reagents
|
|
12
|
+
remark: creator: Lutz Fischer <lfischer <-at-> staffmail.ed.ac.uk>
|
|
13
|
+
remark: creator: Gerhard Mayer <mayerg97 <-at-> rub.de>
|
|
14
|
+
remark: This work is licensed under the Creative Commons Attribution 3.0 Unported License.
|
|
15
|
+
remark: To view a copy of this license, visit http://creativecommons.org/licenses/by/3.0/ or send a letter to Creative Commons, 444 Castro Street, Suite 900, Mountain View, California, 94041, USA.
|
|
16
|
+
|
|
17
|
+
[Typedef]
|
|
18
|
+
id: part_of
|
|
19
|
+
name: part_of
|
|
20
|
+
is_transitive: true
|
|
21
|
+
|
|
22
|
+
[Typedef]
|
|
23
|
+
id: is_labelled
|
|
24
|
+
name: is_labelled
|
|
25
|
+
|
|
26
|
+
[Typedef]
|
|
27
|
+
id: is_partially_reacted
|
|
28
|
+
name: is_partially_reacted
|
|
29
|
+
|
|
30
|
+
[Typedef]
|
|
31
|
+
id: has_property
|
|
32
|
+
name: has_property
|
|
33
|
+
|
|
34
|
+
[Typedef]
|
|
35
|
+
id: has_reactive_group
|
|
36
|
+
name: has_reactive_group
|
|
37
|
+
|
|
38
|
+
[Typedef]
|
|
39
|
+
id: has_handle
|
|
40
|
+
name: has_handle
|
|
41
|
+
|
|
42
|
+
[Typedef]
|
|
43
|
+
id: is_site_product_of
|
|
44
|
+
name: is_site_product_of
|
|
45
|
+
|
|
46
|
+
[Typedef]
|
|
47
|
+
id: has_neutral_loss_reporter
|
|
48
|
+
name: has_neutral_loss_reporter
|
|
49
|
+
|
|
50
|
+
[Term]
|
|
51
|
+
id: XLMOD:00000
|
|
52
|
+
name: Proteomics Standards Initiative cross-linking controlled vocabulary
|
|
53
|
+
def: "Proteomics Standards Initiative cross-linking controlled vocabulary." [PSI:XL]
|
|
54
|
+
|
|
55
|
+
[Term]
|
|
56
|
+
id: XLMOD:00001
|
|
57
|
+
name: cross-linking entity
|
|
58
|
+
def: "Entity relevant to the domain of cross-linking in proteomics." [PSI:XL]
|
|
59
|
+
relationship: part_of XLMOD:00000 ! Proteomics Standards Initiative cross-linking controlled vocabulary
|
|
60
|
+
|
|
61
|
+
[Term]
|
|
62
|
+
id: XLMOD:00002
|
|
63
|
+
name: cross-linker related PTM
|
|
64
|
+
def: "A cross-linker reagent with one reactive group leading to a dead-end modification." [PSI:XL]
|
|
65
|
+
is_a: XLMOD:00001 ! cross-linking entity
|
|
66
|
+
relationship: part_of XLMOD:00000 ! Proteomics Standards Initiative cross-linking controlled vocabulary
|
|
67
|
+
|
|
68
|
+
[Term]
|
|
69
|
+
id: XLMOD:00003
|
|
70
|
+
name: label transfer reagent
|
|
71
|
+
def: "A cross-linker acting as label transfer reagent." [PSI:XL]
|
|
72
|
+
relationship: part_of XLMOD:00000 ! Proteomics Standards Initiative cross-linking controlled vocabulary
|
|
73
|
+
|
|
74
|
+
[Term]
|
|
75
|
+
id: XLMOD:00004
|
|
76
|
+
name: cross-linker
|
|
77
|
+
def: "Compound that can link two or more polymer chains." [PSI:XL]
|
|
78
|
+
is_a: XLMOD:00001 ! cross-linking entity
|
|
79
|
+
|
|
80
|
+
[Term]
|
|
81
|
+
id: XLMOD:00005
|
|
82
|
+
name: homofunctional cross-linker
|
|
83
|
+
def: "A cross-linker reagent with identical reactive groups at each end of the spacer arm." [PSI:XL]
|
|
84
|
+
is_a: XLMOD:00004 ! cross-linker
|
|
85
|
+
|
|
86
|
+
[Term]
|
|
87
|
+
id: XLMOD:00006
|
|
88
|
+
name: heterofunctional cross-linker
|
|
89
|
+
def: "A cross-linker reagent with at least two different reactive groups." [PSI:XL]
|
|
90
|
+
is_a: XLMOD:00004 ! cross-linker
|
|
91
|
+
|
|
92
|
+
[Term]
|
|
93
|
+
id: XLMOD:00007
|
|
94
|
+
name: photoreactive cross-linker
|
|
95
|
+
def: "A cross-linker reagent that becomes reactive when exposed to ultraviolet or visible light." [PSI:XL]
|
|
96
|
+
synonym: "non-selective cross-linker" EXACT [PSI:XL]
|
|
97
|
+
is_a: XLMOD:00004 ! cross-linker
|
|
98
|
+
|
|
99
|
+
[Term]
|
|
100
|
+
id: XLMOD:00008
|
|
101
|
+
name: zero-length cross-linker
|
|
102
|
+
def: "A cross-linker reagent causing direct conjugation without becoming part of the final cross-link between the target molecules." [PSI:XL]
|
|
103
|
+
is_a: XLMOD:00004 ! cross-linker
|
|
104
|
+
|
|
105
|
+
[Term]
|
|
106
|
+
id: XLMOD:00009
|
|
107
|
+
name: cross-linking attribute
|
|
108
|
+
def: "An attribute decsribing a cross-linker." [PSI:XL]
|
|
109
|
+
relationship: part_of XLMOD:00001 ! cross-linking entity
|
|
110
|
+
|
|
111
|
+
[Term]
|
|
112
|
+
id: XLMOD:00010
|
|
113
|
+
name: deuterium-labelled
|
|
114
|
+
def: "Indicates that a cross-linker is deuterium-labelled." [PSI:XL]
|
|
115
|
+
is_a: XLMOD:00009 ! cross-linking attribute
|
|
116
|
+
|
|
117
|
+
[Term]
|
|
118
|
+
id: XLMOD:00011
|
|
119
|
+
name: hydrolyzed
|
|
120
|
+
def: "Indicates that a cross-linker is hydrolyzed." [PSI:XL]
|
|
121
|
+
is_a: XLMOD:00009 ! cross-linking attribute
|
|
122
|
+
|
|
123
|
+
[Term]
|
|
124
|
+
id: XLMOD:00012
|
|
125
|
+
name: amidated
|
|
126
|
+
def: "Indicates that a cross-linker is amidated." [PSI:XL]
|
|
127
|
+
is_a: XLMOD:00009 ! cross-linking attribute
|
|
128
|
+
|
|
129
|
+
[Term]
|
|
130
|
+
id: XLMOD:00013
|
|
131
|
+
name: membrane permeable
|
|
132
|
+
def: "Indicates that a cross-linker is membrane permeable." [PSI:XL]
|
|
133
|
+
is_a: XLMOD:00009 ! cross-linking attribute
|
|
134
|
+
|
|
135
|
+
[Term]
|
|
136
|
+
id: XLMOD:00014
|
|
137
|
+
name: water soluble
|
|
138
|
+
def: "Indicates that a cross-linker is water soluble." [PSI:XL]
|
|
139
|
+
is_a: XLMOD:00009 ! cross-linking attribute
|
|
140
|
+
|
|
141
|
+
[Term]
|
|
142
|
+
id: XLMOD:00015
|
|
143
|
+
name: fluorescent
|
|
144
|
+
def: "Indicates that a cross-linker is fluorescent." [PSI:XL]
|
|
145
|
+
is_a: XLMOD:00009 ! cross-linking attribute
|
|
146
|
+
|
|
147
|
+
[Term]
|
|
148
|
+
id: XLMOD:00016
|
|
149
|
+
name: cleavable
|
|
150
|
+
def: "Indicates that a cross-linker is cleavable." [PSI:XL]
|
|
151
|
+
is_a: XLMOD:00009 ! cross-linking attribute
|
|
152
|
+
|
|
153
|
+
[Term]
|
|
154
|
+
id: XLMOD:00017
|
|
155
|
+
name: chemically cleavable
|
|
156
|
+
def: "Indicates that a cross-linker is chemically cleavable." [PSI:XL]
|
|
157
|
+
is_a: XLMOD:00016 ! cleavable
|
|
158
|
+
|
|
159
|
+
[Term]
|
|
160
|
+
id: XLMOD:00018
|
|
161
|
+
name: cleavable by MS2 labile bond
|
|
162
|
+
def: "Indicates that a cross-linker is mass-spectrometrically cleavable, i.e. contains a MS2 labile bond leading to fragments detected in MS3." [PSI:XL]
|
|
163
|
+
is_a: XLMOD:00016 ! cleavable
|
|
164
|
+
|
|
165
|
+
[Term]
|
|
166
|
+
id: XLMOD:00019
|
|
167
|
+
name: enrichable
|
|
168
|
+
def: "Indicates that a cross-linker that facilitates enrichment." [PSI:XL]
|
|
169
|
+
is_a: XLMOD:00009 ! cross-linking attribute
|
|
170
|
+
|
|
171
|
+
[Term]
|
|
172
|
+
id: XLMOD:00050
|
|
173
|
+
name: handle
|
|
174
|
+
def: "A handle attached to a cross-linker used for detection, affinity enrichment or purification." [PSI:XL]
|
|
175
|
+
is_a: XLMOD:00001 ! cross-linking entity
|
|
176
|
+
relationship: part_of XLMOD:00004 ! cross-linker
|
|
177
|
+
|
|
178
|
+
[Term]
|
|
179
|
+
id: XLMOD:00051
|
|
180
|
+
name: Biotin
|
|
181
|
+
def: "A Biotin affinity handle attached to a cross-linker." [PSI:XL]
|
|
182
|
+
is_a: XLMOD:00050 ! handle
|
|
183
|
+
is_a: XLMOD:00019 ! enrichable
|
|
184
|
+
|
|
185
|
+
[Term]
|
|
186
|
+
id: XLMOD:00100
|
|
187
|
+
name: reactive group
|
|
188
|
+
def: "Part of a cross-linker that reacts with the amino-acids of the protein." [PSI:XL]
|
|
189
|
+
is_a: XLMOD:00009 ! cross-linking attribute
|
|
190
|
+
|
|
191
|
+
[Term]
|
|
192
|
+
id: XLMOD:00101
|
|
193
|
+
name: NHS Ester
|
|
194
|
+
def: "A reactive group that predominantly reacts with lysins and N-terminals but also serine, threonine and tyrosine." [PSI:XL]
|
|
195
|
+
is_a: XLMOD:00100 ! reactive group
|
|
196
|
+
|
|
197
|
+
[Term]
|
|
198
|
+
id: XLMOD:00102
|
|
199
|
+
name: Sulfo NHS Ester
|
|
200
|
+
def: "A reactive group that predominantly reacts with lysins and N-terminals but also serine, threonine and tyrosine." [PSI:XL]
|
|
201
|
+
is_a: XLMOD:00100 ! reactive group
|
|
202
|
+
|
|
203
|
+
[Term]
|
|
204
|
+
id: XLMOD:00103
|
|
205
|
+
name: Diazirine
|
|
206
|
+
def: "Photoreactive group that inserts into any C-H bound." [PSI:XL]
|
|
207
|
+
is_a: XLMOD:00100 ! reactive group
|
|
208
|
+
is_a: XLMOD:00007 ! photoreactive cross-linker
|
|
209
|
+
|
|
210
|
+
[Term]
|
|
211
|
+
id: XLMOD:00104
|
|
212
|
+
name: N-hydroxyphthalimide
|
|
213
|
+
def: "A reactive group that predominantly reacts with lysins and N-terminals." [PSI:XL]
|
|
214
|
+
is_a: XLMOD:00100 ! reactive group
|
|
215
|
+
|
|
216
|
+
[Term]
|
|
217
|
+
id: XLMOD:00105
|
|
218
|
+
name: Carbodiimide
|
|
219
|
+
def: "A Carboxyl-reactive chemical group." [PSI:XL]
|
|
220
|
+
is_a: XLMOD:00100 ! reactive group
|
|
221
|
+
|
|
222
|
+
[Term]
|
|
223
|
+
id: XLMOD:01000
|
|
224
|
+
name: hydrolyzed BS3
|
|
225
|
+
def: "Hydrolyzed bis(sulfosuccinimidyl)suberate." [PSI:XL]
|
|
226
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
227
|
+
property_value: monoisotopicMass: "156.07864431" xsd:double
|
|
228
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
229
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
230
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
231
|
+
relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed
|
|
232
|
+
relationship: is_site_product_of XLMOD:02000 ! BS3
|
|
233
|
+
|
|
234
|
+
[Term]
|
|
235
|
+
id: XLMOD:01001
|
|
236
|
+
name: amidated BS3
|
|
237
|
+
def: "Amidated bis(sulfosuccinimidyl)suberate." [PSI:XL]
|
|
238
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
239
|
+
property_value: monoisotopicMass: "155.094628715" xsd:double
|
|
240
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
241
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
242
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
243
|
+
relationship: is_partially_reacted XLMOD:00012 ! amidated
|
|
244
|
+
relationship: is_site_product_of XLMOD:02000 ! BS3
|
|
245
|
+
|
|
246
|
+
[Term]
|
|
247
|
+
id: XLMOD:01002
|
|
248
|
+
name: hydrolyzed DSS
|
|
249
|
+
def: "Hydrolyzed disuccinimidyl suberate." [PSI:XL]
|
|
250
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
251
|
+
property_value: monoisotopicMass: "156.07864431" xsd:double
|
|
252
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
253
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
254
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
255
|
+
relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed
|
|
256
|
+
relationship: is_site_product_of XLMOD:02001 ! DSS
|
|
257
|
+
|
|
258
|
+
[Term]
|
|
259
|
+
id: XLMOD:01003
|
|
260
|
+
name: amidated DSS
|
|
261
|
+
def: "Amidated disuccinimidyl suberate." [PSI:XL]
|
|
262
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
263
|
+
property_value: monoisotopicMass: "155.094628715" xsd:double
|
|
264
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
265
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
266
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
267
|
+
relationship: is_partially_reacted XLMOD:00012 ! amidated
|
|
268
|
+
relationship: is_site_product_of XLMOD:02001 ! DSS
|
|
269
|
+
|
|
270
|
+
[Term]
|
|
271
|
+
id: XLMOD:01004
|
|
272
|
+
name: hydrolyzed DSS-d4
|
|
273
|
+
def: "Deuterium-labelled hydrolyzed disuccinimidyl 2,2,7,7-suberate." [PSI:XL]
|
|
274
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
275
|
+
property_value: monoisotopicMass: "160.1037416836" xsd:double
|
|
276
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
277
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
278
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
279
|
+
relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed
|
|
280
|
+
relationship: is_site_product_of XLMOD:02002 ! DSS-d4
|
|
281
|
+
|
|
282
|
+
[Term]
|
|
283
|
+
id: XLMOD:01005
|
|
284
|
+
name: amidated DSS-d4
|
|
285
|
+
def: "Deuterium-labelled amidated disuccinimidyl 2,2,7,7-suberate." [PSI:XL]
|
|
286
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
287
|
+
property_value: monoisotopicMass: "159.1197260886" xsd:double
|
|
288
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
289
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
290
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
291
|
+
relationship: is_partially_reacted XLMOD:00012 ! amidated
|
|
292
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
293
|
+
relationship: is_site_product_of XLMOD:02002 ! DSS-d4
|
|
294
|
+
|
|
295
|
+
[Term]
|
|
296
|
+
id: XLMOD:01006
|
|
297
|
+
name: hydrolyzed DSS-d12
|
|
298
|
+
def: "Deuterium-labelled hydrolyzed disuccinimidyl 2,2,3,3,4,4,5,5,6,6,7,7-suberate." [PSI:XL]
|
|
299
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
300
|
+
property_value: monoisotopicMass: "168.153965238" xsd:double
|
|
301
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
302
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
303
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
304
|
+
relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed
|
|
305
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
306
|
+
relationship: is_site_product_of XLMOD:02003 ! DSS-d12
|
|
307
|
+
|
|
308
|
+
[Term]
|
|
309
|
+
id: XLMOD:01007
|
|
310
|
+
name: amidated DSS-d12
|
|
311
|
+
def: "Deuterium-labelled amidated disuccinimidyl 2,2,3,3,4,4,5,5,6,6,7,7-suberate." [PSI:XL]
|
|
312
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
313
|
+
property_value: monoisotopicMass: "167.169949643" xsd:double
|
|
314
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
315
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
316
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
317
|
+
relationship: is_partially_reacted XLMOD:00012 ! amidated
|
|
318
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
319
|
+
relationship: is_site_product_of XLMOD:02003 ! DSS-d12
|
|
320
|
+
|
|
321
|
+
[Term]
|
|
322
|
+
id: XLMOD:01008
|
|
323
|
+
name: hydrolyzed BS3-d4
|
|
324
|
+
def: "Deuterium-labelled hydrolyzed bis(sulfosuccinimidyl) 2,2,7,7-suberate." [PSI:XL]
|
|
325
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
326
|
+
property_value: monoisotopicMass: "160.103751286" xsd:double
|
|
327
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
328
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
329
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
330
|
+
relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed
|
|
331
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
332
|
+
relationship: is_site_product_of XLMOD:02004 ! BS3-d4
|
|
333
|
+
|
|
334
|
+
[Term]
|
|
335
|
+
id: XLMOD:01009
|
|
336
|
+
name: amidated BS3-d4
|
|
337
|
+
def: "Deuterium-labelled amidated bis(sulfosuccinimidyl) 2,2,7,7-suberate." [PSI:XL]
|
|
338
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
339
|
+
property_value: monoisotopicMass: "159.119735691" xsd:double
|
|
340
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
341
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
342
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
343
|
+
relationship: is_partially_reacted XLMOD:00012 ! amidated
|
|
344
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
345
|
+
relationship: is_site_product_of XLMOD:02004 ! BS3-d4
|
|
346
|
+
|
|
347
|
+
[Term]
|
|
348
|
+
id: XLMOD:01010
|
|
349
|
+
name: hydrolyzed BS2G
|
|
350
|
+
def: "Hydrolyzed bis(sulfosuccinimidyl) glutarate." [PSI:XL]
|
|
351
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
352
|
+
property_value: monoisotopicMass: "114.0316941" xsd:double
|
|
353
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
354
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
355
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
356
|
+
relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed
|
|
357
|
+
relationship: is_site_product_of XLMOD:02005 ! BS2G
|
|
358
|
+
|
|
359
|
+
[Term]
|
|
360
|
+
id: XLMOD:01011
|
|
361
|
+
name: amidated BS2G
|
|
362
|
+
def: "Amidated bis(sulfosuccinimidyl) glutarate." [PSI:XL]
|
|
363
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
364
|
+
property_value: monoisotopicMass: "113.047678505" xsd:double
|
|
365
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
366
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
367
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
368
|
+
relationship: is_partially_reacted XLMOD:00012 ! amidated
|
|
369
|
+
relationship: is_site_product_of XLMOD:02005 ! BS2G
|
|
370
|
+
|
|
371
|
+
[Term]
|
|
372
|
+
id: XLMOD:01012
|
|
373
|
+
name: hydrolyzed DSG
|
|
374
|
+
def: "Hydrolyzed disuccinimidyl glutarate." [PSI:XL]
|
|
375
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
376
|
+
property_value: monoisotopicMass: "114.0316941" xsd:double
|
|
377
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
378
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
379
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
380
|
+
relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed
|
|
381
|
+
relationship: has_property XLMOD:00013 ! membrane_permeable
|
|
382
|
+
relationship: is_site_product_of XLMOD:02006 ! DSG
|
|
383
|
+
|
|
384
|
+
[Term]
|
|
385
|
+
id: XLMOD:01013
|
|
386
|
+
name: amidated DSG
|
|
387
|
+
def: "Amidated disuccinimidyl glutarate." [PSI:XL]
|
|
388
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
389
|
+
property_value: monoisotopicMass: "113.047678505" xsd:double
|
|
390
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
391
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
392
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
393
|
+
relationship: is_partially_reacted XLMOD:00012 ! amidated
|
|
394
|
+
relationship: has_property XLMOD:00013 ! membrane_permeable
|
|
395
|
+
relationship: is_site_product_of XLMOD:02006 ! DSG
|
|
396
|
+
|
|
397
|
+
[Term]
|
|
398
|
+
id: XLMOD:01014
|
|
399
|
+
name: hydrolyzed DSG-d4
|
|
400
|
+
def: "Deuterium-labelled amidated disuccinimidyl 2,2,4,4-glutarate." [PSI:XL]
|
|
401
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
402
|
+
property_value: monoisotopicMass: "164.128858262" xsd:double
|
|
403
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
404
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
405
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
406
|
+
relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed
|
|
407
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
408
|
+
relationship: has_property XLMOD:00013 ! membrane_permeable
|
|
409
|
+
relationship: is_site_product_of XLMOD:02007 ! DSG-d4
|
|
410
|
+
|
|
411
|
+
[Term]
|
|
412
|
+
id: XLMOD:01015
|
|
413
|
+
name: amidated DSG-d4
|
|
414
|
+
def: "Deuterium-labelled hydrolyzed disuccinimidyl 2,2,4,4-glutarate." [PSI:XL]
|
|
415
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
416
|
+
property_value: monoisotopicMass: "163.144842667" xsd:double
|
|
417
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
418
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
419
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
420
|
+
relationship: is_partially_reacted XLMOD:00012 ! amidated
|
|
421
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
422
|
+
relationship: has_property XLMOD:00013 ! membrane_permeable
|
|
423
|
+
relationship: is_site_product_of XLMOD:02007 ! DSG-d4
|
|
424
|
+
|
|
425
|
+
[Term]
|
|
426
|
+
id: XLMOD:01016
|
|
427
|
+
name: hydrolyzed BS2G-d4
|
|
428
|
+
def: "Deuterium-labelled hydrolyzed bis(sulfosuccinimidyl) 2,2,4,4-glutarate." [PSI:XL]
|
|
429
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
430
|
+
property_value: monoisotopicMass: "118.056801076" xsd:double
|
|
431
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
432
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
433
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
434
|
+
relationship: is_partially_reacted XLMOD:00011 ! hydrolyzed
|
|
435
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
436
|
+
relationship: is_site_product_of XLMOD:02008 ! BS2G-d4
|
|
437
|
+
|
|
438
|
+
[Term]
|
|
439
|
+
id: XLMOD:01017
|
|
440
|
+
name: amidated BS2G-d4
|
|
441
|
+
def: "Deuterium-labelled amidated bis(sulfosuccinimidyl) 2,2,4,4-glutarate." [PSI:XL]
|
|
442
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
443
|
+
property_value: monoisotopicMass: "117.072785481" xsd:double
|
|
444
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)" xsd:string
|
|
445
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
446
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
447
|
+
relationship: is_partially_reacted XLMOD:00012 ! amidated
|
|
448
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
449
|
+
relationship: is_site_product_of XLMOD:02008 ! BS2G-d4
|
|
450
|
+
|
|
451
|
+
[Term]
|
|
452
|
+
id: XLMOD:01018
|
|
453
|
+
name: BDP-NHP-stump
|
|
454
|
+
def: "Biotin Aspartate Proline n-hydroxyphthalimide-stump." [PSI:XL]
|
|
455
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
456
|
+
property_value: reactionSites: "1" xsd:nonNegativeInteger
|
|
457
|
+
property_value: monoisotopicMass: "197.032422395" xsd:double
|
|
458
|
+
property_value: specificities: "(K,Protein N-term)" xsd:string
|
|
459
|
+
is_a: XLMOD:00002 ! cross-linker related PTM
|
|
460
|
+
relationship: has_reactive_group XLMOD:00104 ! N-hydroxyphthalimide
|
|
461
|
+
relationship: is_site_product_of XLMOD:02011 ! BDP-NHP
|
|
462
|
+
|
|
463
|
+
[Term]
|
|
464
|
+
id: XLMOD:02000
|
|
465
|
+
name: BS3
|
|
466
|
+
def: "Bis(sulfosuccinimidyl)suberate." [PSI:XL, CAS:82436-77-9, PubChem_Compound:6097991]
|
|
467
|
+
synonym: "Suberic acid bis(3-sulfo-N-hydroxysuccinimide ester)" EXACT []
|
|
468
|
+
synonym: "Bis(sulfosuccinimidyl)suberate" EXACT []
|
|
469
|
+
synonym: "Sulfo-DSS" EXACT []
|
|
470
|
+
synonym: "BSSS" EXACT []
|
|
471
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
472
|
+
property_value: monoisotopicMass: "138.06807961" xsd:double
|
|
473
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(K,S,T,Y,Protein N-term)" xsd:string
|
|
474
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
475
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
476
|
+
relationship: has_property XLMOD:00014 ! water soluble
|
|
477
|
+
relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS Ester
|
|
478
|
+
|
|
479
|
+
[Term]
|
|
480
|
+
id: XLMOD:02001
|
|
481
|
+
name: DSS
|
|
482
|
+
def: "Disuccinimidyl suberate." [PSI:XL, CAS:68528-80-3, PubChem_Compound:100658]
|
|
483
|
+
synonym: "Bis(succinimidyl) suberate" EXACT []
|
|
484
|
+
synonym: "Suberic acid bis(N-hydroxysuccinimide ester)" EXACT []
|
|
485
|
+
synonym: "Disuccinimidyl octanedioate" EXACT []
|
|
486
|
+
synonym: "DSS-d0" EXACT []
|
|
487
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
488
|
+
property_value: monoisotopicMass: "138.06807961" xsd:double
|
|
489
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(K,S,T,Y,Protein N-term)" xsd:string
|
|
490
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
491
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
492
|
+
relationship: has_property XLMOD:00013 ! membrane_permeable
|
|
493
|
+
relationship: has_reactive_group XLMOD:00101 ! NHS Ester
|
|
494
|
+
|
|
495
|
+
[Term]
|
|
496
|
+
id: XLMOD:02002
|
|
497
|
+
name: DSS-d4
|
|
498
|
+
def: "Deuterium-labelled disuccinimidyl 2,2,7,7-suberate." [PSI:XL, PubChem_Compound:91757798]
|
|
499
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
500
|
+
property_value: monoisotopicMass: "142.093186586" xsd:double
|
|
501
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(K,S,T,Y,Protein N-term)" xsd:string
|
|
502
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
503
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
504
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
505
|
+
relationship: has_reactive_group XLMOD:00101 ! NHS Ester
|
|
506
|
+
|
|
507
|
+
[Term]
|
|
508
|
+
id: XLMOD:02003
|
|
509
|
+
name: DSS-d12
|
|
510
|
+
def: "Deuterium-labelled disuccinimidyl 2,2,3,3,4,4,5,5,6,6,7,7-suberate." [PSI:XL]
|
|
511
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
512
|
+
property_value: monoisotopicMass: "150.143400538" xsd:double
|
|
513
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(K,S,T,Y,Protein N-term)" xsd:string
|
|
514
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
515
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
516
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
517
|
+
relationship: has_reactive_group XLMOD:00101 ! NHS Ester
|
|
518
|
+
|
|
519
|
+
[Term]
|
|
520
|
+
id: XLMOD:02004
|
|
521
|
+
name: BS3-d4
|
|
522
|
+
def: "Deuterium-labelled (bis(sulfosuccinimidyl) 2,2,7,7-suberate-d4)." [PSI:XL, PubChem_Compound:91757801]
|
|
523
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
524
|
+
property_value: monoisotopicMass: "142.093186586" xsd:double
|
|
525
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(K,S,T,Y,Protein N-term)" xsd:string
|
|
526
|
+
property_value: spacerLength: "11.4" xsd:float
|
|
527
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
528
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
529
|
+
relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS Ester
|
|
530
|
+
|
|
531
|
+
[Term]
|
|
532
|
+
id: XLMOD:02005
|
|
533
|
+
name: BS2G
|
|
534
|
+
def: "Bis(sulfosuccinimidyl) glutarat." [PSI:XL, PubChem_Compound:91757794]
|
|
535
|
+
synonym: "Glutaric acid bis(3-sulfo-N-hydroxysuccinimide ester)" EXACT []
|
|
536
|
+
synonym: "Sulfo-DSG" EXACT []
|
|
537
|
+
synonym: "BS2G-d0" EXACT []
|
|
538
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
539
|
+
property_value: monoisotopicMass: "96.0211294" xsd:double
|
|
540
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(K,S,T,Y,Protein N-term)" xsd:string
|
|
541
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
542
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
543
|
+
relationship: has_reactive_group XLMOD:00102 ! Sulfo NHS Ester
|
|
544
|
+
|
|
545
|
+
[Term]
|
|
546
|
+
id: XLMOD:02006
|
|
547
|
+
name: DSG
|
|
548
|
+
def: "Disuccinimidyl glutarate." [PSI:XL, CAS:79642-50-5, PubChem_Compound:4432628]
|
|
549
|
+
synonym: "Di(N-succinimidyl) glutarate" EXACT []
|
|
550
|
+
synonym: "Di-succinimidyl glutarate" EXACT []
|
|
551
|
+
synonym: "Di N-succinimidyl glutarate" EXACT []
|
|
552
|
+
synonym: "Bis-NHS glutarate" EXACT []
|
|
553
|
+
synonym: "Disuccinimidyl glutaric dicarboxylate" EXACT []
|
|
554
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
555
|
+
property_value: monoisotopicMass: "96.0211294" xsd:double
|
|
556
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(K,S,T,Y,Protein N-term)" xsd:string
|
|
557
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
558
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
559
|
+
relationship: has_property XLMOD:00013 ! membrane_permeable
|
|
560
|
+
relationship: has_reactive_group XLMOD:00101 ! NHS Ester
|
|
561
|
+
|
|
562
|
+
[Term]
|
|
563
|
+
id: XLMOD:02007
|
|
564
|
+
name: DSG-d4
|
|
565
|
+
def: "Deuterium-labelled disuccinimidyl 2,2,4,4-glutarate." [PSI:XL, PubChem_Compound:91757797]
|
|
566
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
567
|
+
property_value: monoisotopicMass: "146.118293562" xsd:double
|
|
568
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(K,S,T,Y,Protein N-term)" xsd:string
|
|
569
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
570
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
571
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
572
|
+
relationship: has_property XLMOD:00013 ! membrane_permeable
|
|
573
|
+
relationship: has_reactive_group XLMOD:00101 ! NHS Ester
|
|
574
|
+
|
|
575
|
+
[Term]
|
|
576
|
+
id: XLMOD:02008
|
|
577
|
+
name: BS2G-d4
|
|
578
|
+
def: "Deuterium-labelled bis(sulfosuccinimidyl) 2,2,4,4-glutarate." [PSI:XL, PubChem_Compound:91757799]
|
|
579
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
580
|
+
property_value: monoisotopicMass: "100.046236376" xsd:double
|
|
581
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(K,S,T,Y,Protein N-term)" xsd:string
|
|
582
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
583
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
584
|
+
relationship: is_labelled XLMOD:00010 ! deuterium-labelled
|
|
585
|
+
relationship: has_reactive_group XLMOD:00101 ! NHS Ester
|
|
586
|
+
|
|
587
|
+
[Term]
|
|
588
|
+
id: XLMOD:02009
|
|
589
|
+
name: Disulfide
|
|
590
|
+
def: "Disulfide." [PSI:XL]
|
|
591
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
592
|
+
property_value: monoisotopicMass: "-2.01565007" xsd:double
|
|
593
|
+
property_value: specificities: "(C)&(C)" xsd:string
|
|
594
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
595
|
+
|
|
596
|
+
[Term]
|
|
597
|
+
id: XLMOD:02010
|
|
598
|
+
name: EDC
|
|
599
|
+
def: "1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride." [PSI:XL, CAS:25952-53-8, PubChem_Compound:2723939]
|
|
600
|
+
synonym: "1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide HCl" EXACT []
|
|
601
|
+
synonym: "N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride" EXACT []
|
|
602
|
+
synonym: "EDAC.HCl" EXACT []
|
|
603
|
+
synonym: "EDC.HCl" EXACT []
|
|
604
|
+
synonym: "EDCI" EXACT []
|
|
605
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
606
|
+
property_value: monoisotopicMass: "-18.01056027" xsd:double
|
|
607
|
+
property_value: specificities: "(K,S,T,Y,Protein N-term)&(E,D,Protein C-term)" xsd:string
|
|
608
|
+
property_value: spacerLength: "7.7" xsd:float
|
|
609
|
+
is_a: XLMOD:00008 ! zero-length cross-linker
|
|
610
|
+
relationship: has_reactive_group XLMOD:00105 ! Carbodiimide
|
|
611
|
+
|
|
612
|
+
[Term]
|
|
613
|
+
id: XLMOD:02011
|
|
614
|
+
name: BDP-NHP
|
|
615
|
+
def: "Biotin Aspartate Proline n-hydroxyphthalamide." [PSI:XL]
|
|
616
|
+
property_value: reactionSites: "2" xsd:nonNegativeInteger
|
|
617
|
+
property_value: monoisotopicMass: "1241.469925525" xsd:double
|
|
618
|
+
property_value: specificities: "(K,Protein N-term)&(K,Protein N-term)" xsd:string
|
|
619
|
+
is_a: XLMOD:00005 ! homofunctional cross-linker
|
|
620
|
+
is_a: XLMOD:00019 ! enrichable
|
|
621
|
+
is_a: XLMOD:00018 ! cleavable by MS2 labile bond
|
|
622
|
+
relationship: has_reactive_group XLMOD:00104 ! N-hydroxyphthalimide
|
|
623
|
+
relationship: has_handle XLMOD:00051 ! Biotin
|