From 8ffc9fb5885283bb2ed2ef0965ea14943aca083b Mon Sep 17 00:00:00 2001 From: Zargham Ahmad Date: Tue, 18 Jun 2024 15:14:23 +0200 Subject: [PATCH] updated tool list --- umsa_tool_list.yaml.lock | 41 ++++++++++++++++++++++++++++++++++++++++ 1 file changed, 41 insertions(+) diff --git a/umsa_tool_list.yaml.lock b/umsa_tool_list.yaml.lock index 4005883..58bcd6a 100644 --- a/umsa_tool_list.yaml.lock +++ b/umsa_tool_list.yaml.lock @@ -78,6 +78,7 @@ tools: revisions: - 1dc9f5a3163d - 567327a97ad2 + - 60db8070a5c3 - a0e07a0bc047 tool_panel_section_label: RECETOX - name: msmetaenhancer @@ -89,6 +90,7 @@ tools: - name: xtb_molecular_optimization owner: recetox revisions: + - cba7123c2741 - d5633eaf3552 tool_panel_section_label: RECETOX - name: recetox_xmsannotator_advanced @@ -101,6 +103,7 @@ tools: owner: recetox revisions: - 071a424241ec + - 1a2aeb8137bf - 6480c6d5fa36 tool_panel_section_label: RECETOX - name: ramclustr @@ -178,6 +181,7 @@ tools: revisions: - 1dc9f5a3163d - 567327a97ad2 + - 60db8070a5c3 - a0e07a0bc047 tool_panel_section_label: ChemicalToolBox - name: openbabel_remions @@ -851,57 +855,68 @@ tools: - name: mspurity_frag4feature owner: computational-metabolomics revisions: + - 174a523cb1da - e9fbb65451f6 tool_panel_section_label: msPurity - name: mspurity_spectralmatching owner: computational-metabolomics revisions: - 20f4fdaf36bb + - c33b92eeb1fb tool_panel_section_label: msPurity - name: mspurity_filterfragspectra owner: computational-metabolomics revisions: - 2e10c13085c9 + - a8842e5e75a7 tool_panel_section_label: msPurity - name: mspurity_puritya owner: computational-metabolomics revisions: + - 10e56e53668c - 55f1691db108 tool_panel_section_label: msPurity - name: mspurity_dimspredictpuritysingle owner: computational-metabolomics revisions: - 2ce66d2f6a24 + - 548fed2ef792 tool_panel_section_label: msPurity - name: mspurity_combineannotations owner: computational-metabolomics revisions: - d7104112fac6 + - f11c129a4227 tool_panel_section_label: msPurity - name: mspurity_purityx owner: computational-metabolomics revisions: + - 374022b7b469 - 942e676515fe tool_panel_section_label: msPurity - name: mspurity_createmsp owner: computational-metabolomics revisions: + - 3d92b95cf6c0 - 8512923bdd37 tool_panel_section_label: msPurity - name: mspurity_createdatabase owner: computational-metabolomics revisions: - 0cc6b67dccb8 + - 751b7378a683 tool_panel_section_label: msPurity - name: mspurity_averagefragspectra owner: computational-metabolomics revisions: - 94eb1fcfde88 + - ac284b969836 tool_panel_section_label: msPurity - name: mspurity_flagremove owner: computational-metabolomics revisions: - 69ed543767b2 + - da36e8bbcfbd tool_panel_section_label: msPurity - name: frag_hires_mass owner: ljocha @@ -937,11 +952,13 @@ tools: owner: galaxyp revisions: - 2735db4dd8d9 + - 748dfbdf2201 tool_panel_section_label: OpenMS - name: openms_featurelinkerunlabeled owner: galaxyp revisions: - b46263c3ee99 + - fbe41f0cc71e tool_panel_section_label: OpenMS - name: openms_featurefindersuperhirn owner: galaxyp @@ -952,51 +969,61 @@ tools: owner: galaxyp revisions: - 1a709ba66f2f + - d0c5325cb998 tool_panel_section_label: OpenMS - name: openms_featurefindermetabo owner: galaxyp revisions: - 2451315543f9 + - a49dde5a836e tool_panel_section_label: OpenMS - name: openms_fileconverter owner: galaxyp revisions: - 2a93a25f0599 + - 8b6336c903ef tool_panel_section_label: OpenMS - name: openms_peakpickerwavelet owner: galaxyp revisions: - 2077efa205de + - bf0b36140329 tool_panel_section_label: OpenMS - name: openms_peakpickerhires owner: galaxyp revisions: + - 401f500aae50 - 6b01678ec2fc tool_panel_section_label: OpenMS - name: openms_noisefiltergaussian owner: galaxyp revisions: + - 464f7877215b - 47982606f542 tool_panel_section_label: OpenMS - name: openms_noisefiltersgolay owner: galaxyp revisions: + - 35468667de97 - cf86c9091cb3 tool_panel_section_label: OpenMS - name: openms_filefilter owner: galaxyp revisions: + - 86a9dd43dd09 - fe4e4587d265 tool_panel_section_label: OpenMS - name: openms_baselinefilter owner: galaxyp revisions: + - 84bd73e60367 - ddbae9eb797e tool_panel_section_label: OpenMS - name: openms_fileinfo owner: galaxyp revisions: - 4af67edd5aef + - 5a45e6ac9aae tool_panel_section_label: OpenMS - name: recetox_aplcms_merge_known_table owner: recetox @@ -1051,17 +1078,20 @@ tools: revisions: - a598091029ad - c4835715c7ac + - cab0e4dcf372 tool_panel_section_label: matchms - name: matchms_metadata_merge owner: recetox revisions: - 6e965d099233 - ec25de0f0c58 + - fc1a698a71e8 tool_panel_section_label: matchms - name: matchms_add_key owner: recetox revisions: - 51da674b945d + - 7c5b86026e57 - b23b6a640f6a tool_panel_section_label: matchms - name: matchms_networking @@ -1069,16 +1099,19 @@ tools: revisions: - 3cd1cf3034d1 - 9c12114c7aee + - ab8a33c370f5 tool_panel_section_label: matchms - name: matchms_metadata_match owner: recetox revisions: - 05a7fc94e66c + - 844d32c59314 - 86e080d81cfb tool_panel_section_label: matchms - name: matchms_spectral_similarity owner: recetox revisions: + - 26c92af1bd28 - 44e7027714d7 - ee35dcec350a tool_panel_section_label: matchms @@ -1086,23 +1119,27 @@ tools: owner: recetox revisions: - cbadbec49b5d + - dd49ef90297c - e337075d0aaa tool_panel_section_label: matchms - name: matchms_fingerprint_similarity owner: recetox revisions: - 1d3ee4f9f63d + - ad9d2d1b2b8d - c2d546691b7a tool_panel_section_label: matchms - name: matchms_convert owner: recetox revisions: + - 692471e62c68 - a3d2f919cb98 - bff7bfcf975e tool_panel_section_label: matchms - name: matchms_filtering owner: recetox revisions: + - 07cac38cbd29 - 86d265d2a334 - da15e8ea3b28 tool_panel_section_label: matchms @@ -1110,22 +1147,26 @@ tools: owner: recetox revisions: - 80df426e7e47 + - c24ebd41dd53 tool_panel_section_label: matchms - name: matchms_split owner: recetox revisions: - 072c7a101da6 + - 446fddefcee7 - fc1bc38ede0b tool_panel_section_label: matchms - name: matchms_remove_key owner: recetox revisions: - 0a64e2bcce96 + - 19367db5cf3c - 8c98b3cb320e tool_panel_section_label: matchms - name: matchms_formatter owner: recetox revisions: + - 6501d0287dcd - 8bd942dcf1ad - f76a397afbe1 tool_panel_section_label: matchms