From f27b90ed92974d801fad2f71497f06345ba0e5f4 Mon Sep 17 00:00:00 2001 From: hechth Date: Wed, 25 Feb 2026 09:09:12 +0100 Subject: [PATCH 1/2] updated openbabel tools --- .../chemicaltoolbox.yml.lock | 15 +++++++++++++++ 1 file changed, 15 insertions(+) diff --git a/galaxy-umsa.grid.cesnet.cz/chemicaltoolbox.yml.lock b/galaxy-umsa.grid.cesnet.cz/chemicaltoolbox.yml.lock index ba43795..a2fd651 100644 --- a/galaxy-umsa.grid.cesnet.cz/chemicaltoolbox.yml.lock +++ b/galaxy-umsa.grid.cesnet.cz/chemicaltoolbox.yml.lock @@ -12,6 +12,7 @@ tools: - name: openbabel_remions owner: bgruening revisions: + - 6cc6c7ef23df - f70b83b730ac tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox @@ -148,18 +149,21 @@ tools: owner: bgruening revisions: - c5de6c19eb06 + - dd28d21080f3 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox - name: openbabel_addh owner: bgruening revisions: - 43167f164076 + - 6da72bb13a05 - 7b6fd1c273cd tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox - name: openbabel_filter owner: bgruening revisions: + - 30a4b898e306 - 988085c7a0ea tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox @@ -167,6 +171,7 @@ tools: owner: bgruening revisions: - 9adf3fae2771 + - abf3ff7ff5e7 - c19608db6b15 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox @@ -174,6 +179,7 @@ tools: owner: bgruening revisions: - 4242b4d68e9c + - ddbfae6646f9 - e2c36f62e22f tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox @@ -182,12 +188,14 @@ tools: revisions: - 22a866858b81 - bf4e668b6690 + - f2aef0ee9d78 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox - name: openbabel_spectrophore_search owner: bgruening revisions: - 330514267c57 + - e1676a9f766b - f5d7ffbb2d33 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox @@ -196,6 +204,7 @@ tools: revisions: - 75ee9c410951 - 7672039a0bb0 + - aa62ff7e28b5 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox - name: openbabel_multi_obgrep @@ -209,11 +218,13 @@ tools: revisions: - 50eaae9df8d3 - b249bf9be0d1 + - f620af05e524 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox - name: openbabel_change_title owner: bgruening revisions: + - 23284172bc4e - a638d8d13bb3 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox @@ -221,6 +232,7 @@ tools: owner: bgruening revisions: - 274193d6c443 + - 64e2c5ab51cb - 985ab0acd514 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox @@ -228,11 +240,13 @@ tools: owner: bgruening revisions: - 81836d586797 + - fc2a2989c3b1 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox - name: prepare_ligands_for_docking owner: bgruening revisions: + - d9d5aa013bb4 - fac2c28b4c55 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox @@ -516,6 +530,7 @@ tools: owner: bgruening revisions: - 8302ab092300 + - d5ad79cfa0ae tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox - name: ctb_frankenstein_ligand From 19ac92ee87b3e0b4b12f10cde0e98ca86eb87f5a Mon Sep 17 00:00:00 2001 From: hechth Date: Tue, 31 Mar 2026 20:14:17 +0200 Subject: [PATCH 2/2] updated tools --- galaxy-umsa.grid.cesnet.cz/recetox.yml.lock | 6 ++++++ galaxy-umsa.grid.cesnet.cz/text_manipulation.yml.lock | 1 + galaxy-umsa.grid.cesnet.cz/visualization.yml | 2 ++ galaxy-umsa.grid.cesnet.cz/visualization.yml.lock | 6 ++++++ 4 files changed, 15 insertions(+) diff --git a/galaxy-umsa.grid.cesnet.cz/recetox.yml.lock b/galaxy-umsa.grid.cesnet.cz/recetox.yml.lock index d238781..d106a24 100644 --- a/galaxy-umsa.grid.cesnet.cz/recetox.yml.lock +++ b/galaxy-umsa.grid.cesnet.cz/recetox.yml.lock @@ -21,6 +21,7 @@ tools: - name: msmetaenhancer owner: recetox revisions: + - 3b402610c6dc - 3e2cb0bc6959 - 560053b805d2 - 646ef66527da @@ -50,6 +51,7 @@ tools: - 6480c6d5fa36 - 6fc9f6dbcef5 - 821062fc5782 + - bf28a0fc0db6 - bf32ae95a06f tool_panel_section_id: recetox tool_panel_section_label: RECETOX @@ -90,6 +92,7 @@ tools: owner: recetox revisions: - 984d5fa7acf5 + - 9b2fe4c49ecb - af25aa61c611 - c702620c22b1 tool_panel_section_id: recetox @@ -122,6 +125,7 @@ tools: - 6975af39ba79 - 7226eba9c09d - 97ccdb1ba47c + - e2fa3b23d7db tool_panel_section_id: recetox tool_panel_section_label: RECETOX - name: rename_annotated_feature @@ -139,6 +143,7 @@ tools: - name: rcx_tk owner: recetox revisions: + - 320ebaa133e5 - 54401f9d1a30 - 9b4b624c4d60 tool_panel_section_id: recetox @@ -210,6 +215,7 @@ tools: - name: freqsap owner: recetox revisions: + - 1c2a8760ad2b - ddabfd6ee2a2 tool_panel_section_id: recetox tool_panel_section_label: RECETOX diff --git a/galaxy-umsa.grid.cesnet.cz/text_manipulation.yml.lock b/galaxy-umsa.grid.cesnet.cz/text_manipulation.yml.lock index 8e38c41..b63b9c6 100644 --- a/galaxy-umsa.grid.cesnet.cz/text_manipulation.yml.lock +++ b/galaxy-umsa.grid.cesnet.cz/text_manipulation.yml.lock @@ -8,6 +8,7 @@ tools: - 22c2a1ac7ae3 - a2667f8d23de - a513e3fbb4c5 + - a884245d3b3a tool_panel_section_id: text_manipulation tool_panel_section_label: Text Manipulation - name: diff diff --git a/galaxy-umsa.grid.cesnet.cz/visualization.yml b/galaxy-umsa.grid.cesnet.cz/visualization.yml index 1d53633..42282fe 100644 --- a/galaxy-umsa.grid.cesnet.cz/visualization.yml +++ b/galaxy-umsa.grid.cesnet.cz/visualization.yml @@ -32,3 +32,5 @@ tools: owner: workflow4metabolomics - name: xcms_plot_raw owner: workflow4metabolomics +- name: rcx_boxplot + owner: recetox diff --git a/galaxy-umsa.grid.cesnet.cz/visualization.yml.lock b/galaxy-umsa.grid.cesnet.cz/visualization.yml.lock index db4edbf..6dafaad 100644 --- a/galaxy-umsa.grid.cesnet.cz/visualization.yml.lock +++ b/galaxy-umsa.grid.cesnet.cz/visualization.yml.lock @@ -118,3 +118,9 @@ tools: - 8b8d360316c3 tool_panel_section_id: visualization tool_panel_section_label: Visualization +- name: rcx_boxplot + owner: recetox + revisions: + - ebb0730f6175 + tool_panel_section_id: visualization + tool_panel_section_label: Visualization