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.
Files changed (166) hide show
  1. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/License.txt +52 -0
  2. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/__init__.py +54 -0
  3. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/__init__.pyc +0 -0
  4. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/all_modules.py +4 -0
  5. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/all_modules.pyc +0 -0
  6. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/docompile.py +35 -0
  7. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/docompile.pyc +0 -0
  8. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libOpenMS.so +0 -0
  9. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libOpenSwathAlgo.so +0 -0
  10. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/libSuperHirn.so +0 -0
  11. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_1.so +0 -0
  12. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_2.so +0 -0
  13. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_3.so +0 -0
  14. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/pyopenms_4.so +0 -0
  15. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/python_extras.py +22 -0
  16. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/python_extras.pyc +0 -0
  17. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/qt_version_info.py +2 -0
  18. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/qt_version_info.pyc +0 -0
  19. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Elements.xml +1221 -0
  20. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Enzymes.xml +269 -0
  21. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/HMDBMappingFile.tsv +10104 -0
  22. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModel.scale +6 -0
  23. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModel.svm +626 -0
  24. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised2.scale +4 -0
  25. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised2.svm +559 -0
  26. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised5.scale +4 -0
  27. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MetaboliteIsoModelNoised5.svm +1010 -0
  28. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/MissedCleavage.model +229 -0
  29. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/NegativeAdducts.tsv +15 -0
  30. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/OMSSA_modification_mapping +158 -0
  31. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/PSI-MOD.obo +23804 -0
  32. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/PositiveAdducts.tsv +33 -0
  33. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/Residues.xml +470 -0
  34. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/XLMOD.obo +623 -0
  35. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/XTandem_default_input.xml +181 -0
  36. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CHEMISTRY/unimod.xml +38885 -0
  37. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/brenda.obo +22923 -0
  38. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/goslim_goa.obo +823 -0
  39. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/psi-ms.obo +17899 -0
  40. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/psi-mzdata.obo +2920 -0
  41. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/qc-cv.obo +471 -0
  42. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/quality.obo +12581 -0
  43. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/unimod.obo +13214 -0
  44. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/CV/unit.obo +2585 -0
  45. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPAS.appdata.xml +33 -0
  46. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPAS.desktop +10 -0
  47. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPView.appdata.xml +35 -0
  48. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/TOPPView.desktop +11 -0
  49. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/DESKTOP/readme.txt +5 -0
  50. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/GUISTYLE/qtStyleSheet.qss +9 -0
  51. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/IDPool/IDPool.txt +0 -0
  52. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/IDPool/README +29 -0
  53. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/TraML-mapping.xml +171 -0
  54. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/ms-mapping.xml +187 -0
  55. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/mzIdentML-mapping.xml +221 -0
  56. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/MAPPING/mzdata-mapping.xml +158 -0
  57. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/PIP/codebooks.data +2 -0
  58. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/PIP/linearMapping.data +2 -0
  59. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/CTD_0_3.xsd +168 -0
  60. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_0.xsd +376 -0
  61. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_1.xsd +381 -0
  62. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_2.xsd +202 -0
  63. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_3.xsd +686 -0
  64. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_4.xsd +694 -0
  65. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_5.xsd +698 -0
  66. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_6.xsd +613 -0
  67. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ConsensusXML_1_7.xsd +618 -0
  68. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/CvMapping.xsd +157 -0
  69. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_0.xsd +737 -0
  70. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_1.xsd +770 -0
  71. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_2.xsd +770 -0
  72. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_3.xsd +660 -0
  73. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_4.xsd +660 -0
  74. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_5.xsd +670 -0
  75. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_6.xsd +674 -0
  76. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_7.xsd +679 -0
  77. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_8.xsd +587 -0
  78. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FeatureXML_1_9.xsd +592 -0
  79. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/FuGElightv1.0.0.xsd +1118 -0
  80. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_0.xsd +340 -0
  81. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_1.xsd +345 -0
  82. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_2.xsd +354 -0
  83. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_3.xsd +367 -0
  84. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_4.xsd +371 -0
  85. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/IdXML_1_5.xsd +371 -0
  86. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_0.xsd +91 -0
  87. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_1.xsd +101 -0
  88. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_2.xsd +168 -0
  89. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_3.xsd +173 -0
  90. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_4.xsd +149 -0
  91. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/Param_1_6_2.xsd +99 -0
  92. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/ToolDescriptor_1_0.xsd +232 -0
  93. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TraML0.9.3.xsd +552 -0
  94. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TraML1.0.0.xsd +622 -0
  95. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/TrafoXML_1_0.xsd +102 -0
  96. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/general_types_1.0.xsd +17 -0
  97. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzData_1_05.xsd +631 -0
  98. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzIdentML1.0.0.xsd +1339 -0
  99. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzIdentML1.1.0.xsd +1845 -0
  100. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_1_00.xsd +921 -0
  101. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_1_10.xsd +1119 -0
  102. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_idx_1_00.xsd +992 -0
  103. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzML_idx_1_10.xsd +1201 -0
  104. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzQCML_0_0_5.xsd +220 -0
  105. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzQuantML_1_0_0-rc2.xsd +1557 -0
  106. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_2_1.xsd +1 -1
  107. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_3.1.xsd +1 -1
  108. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_3.1_mod.xsd +686 -0
  109. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/mzXML_idx_3.1.xsd +60 -0
  110. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/pepXML_v114.xsd +1448 -0
  111. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/protXML_v6.xsd +935 -0
  112. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/qcML_0.0.7.xsd +235 -0
  113. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/separation_technique_1.0.xsd +10 -0
  114. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCHEMAS/xQuest_1_0.xsd +210 -0
  115. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/InternalCalibration_Models.R +40 -0
  116. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/InternalCalibration_Residuals.R +57 -0
  117. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_acc.R +28 -0
  118. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_idmap.R +39 -0
  119. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_inj.R +27 -0
  120. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_rt_acc.R +31 -0
  121. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_setid.R +27 -0
  122. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/ProduceQCFigures_tic.R +23 -0
  123. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/Rscript_generic_example.R +88 -0
  124. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PEP.R +47 -0
  125. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PRT.R +104 -0
  126. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/mzTab2tsv_PSM.R +80 -0
  127. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/SCRIPTS/plot_trafo.R +126 -0
  128. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/THIRDPARTY/ReadMe.txt +9 -0
  129. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Hardkloer.ttd +109 -0
  130. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/LINUX/TPP_ProteinProphet.ttd +46 -0
  131. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/LINUX/mail.ttd +22 -0
  132. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/MSGFtoPercolator.ttd +30 -0
  133. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/MascotPercolator.ttd +42 -0
  134. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Percolator.ttd +29 -0
  135. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/QCExporter.ttd +51 -0
  136. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/RawDirConvert.ttd +25 -0
  137. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/ReadMe.txt +72 -0
  138. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_generic.ttd +42 -0
  139. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PEP.ttd +26 -0
  140. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PRT.ttd +26 -0
  141. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_mzTab2tsv_PSM.ttd +26 -0
  142. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_acc.ttd +30 -0
  143. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_idmap.ttd +33 -0
  144. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_rt_acc.ttd +30 -0
  145. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_setid.ttd +30 -0
  146. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_tic.ttd +30 -0
  147. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/Rscript_qcfigures_trapfill.ttd +30 -0
  148. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/TEMPLATE.ttd_ +52 -0
  149. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/TPP_RefreshParser.ttd +28 -0
  150. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms/share/OpenMS/TOOLS/EXTERNAL/WINDOWS/TPP_ProteinProphet.ttd +46 -0
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  164. media/doc/pyenv/py27_bleeding/lib/python2.7/site-packages/pyopenms-2.3.0-py2.7.egg-info/dependency_links.txt +1 -0
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@@ -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