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260311 rcx updates #151

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hechth wants to merge 3 commits into from
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260311 rcx updates #151

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f27b90e
updated openbabel tools
hechth Feb 25, 2026
331157e
updated tool versions
hechth Mar 11, 2026
e704cfe
added aoptk
hechth Mar 11, 2026
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15 changes: 15 additions & 0 deletions galaxy-umsa.grid.cesnet.cz/chemicaltoolbox.yml.lock
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Expand Up @@ -12,6 +12,7 @@ tools:
- name: openbabel_remions
owner: bgruening
revisions:
- 6cc6c7ef23df
- f70b83b730ac
tool_panel_section_id: chemicaltoolbox
tool_panel_section_label: ChemicalToolBox
Expand Down Expand Up @@ -148,32 +149,37 @@ 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
- name: openbabel_subsearch
owner: bgruening
revisions:
- 9adf3fae2771
- abf3ff7ff5e7
- c19608db6b15
tool_panel_section_id: chemicaltoolbox
tool_panel_section_label: ChemicalToolBox
- name: openbabel_compound_convert
owner: bgruening
revisions:
- 4242b4d68e9c
- ddbfae6646f9
- e2c36f62e22f
tool_panel_section_id: chemicaltoolbox
tool_panel_section_label: ChemicalToolBox
Expand All @@ -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
Expand All @@ -196,6 +204,7 @@ tools:
revisions:
- 75ee9c410951
- 7672039a0bb0
- aa62ff7e28b5
tool_panel_section_id: chemicaltoolbox
tool_panel_section_label: ChemicalToolBox
- name: openbabel_multi_obgrep
Expand All @@ -209,30 +218,35 @@ 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
- name: openbabel_obgrep
owner: bgruening
revisions:
- 274193d6c443
- 64e2c5ab51cb
- 985ab0acd514
tool_panel_section_id: chemicaltoolbox
tool_panel_section_label: ChemicalToolBox
- name: openbabel_remsmall
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
Expand Down Expand Up @@ -516,6 +530,7 @@ tools:
owner: bgruening
revisions:
- 8302ab092300
- d5ad79cfa0ae
tool_panel_section_id: chemicaltoolbox
tool_panel_section_label: ChemicalToolBox
- name: ctb_frankenstein_ligand
Expand Down
4 changes: 4 additions & 0 deletions galaxy-umsa.grid.cesnet.cz/recetox.yml
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Expand Up @@ -59,4 +59,8 @@ tools:
- name: freqsap
owner: recetox
- name: use_theoretical_mz_annotations
owner: recetox
- name: aoptk_chemical_identifier
owner: recetox
- name: aoptk_publication_tracker
owner: recetox
16 changes: 16 additions & 0 deletions galaxy-umsa.grid.cesnet.cz/recetox.yml.lock
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Expand Up @@ -21,6 +21,7 @@ tools:
- name: msmetaenhancer
owner: recetox
revisions:
- 3b402610c6dc
- 3e2cb0bc6959
- 560053b805d2
- 646ef66527da
Expand Down Expand Up @@ -90,6 +91,7 @@ tools:
owner: recetox
revisions:
- 984d5fa7acf5
- 9b2fe4c49ecb
- af25aa61c611
- c702620c22b1
tool_panel_section_id: recetox
Expand Down Expand Up @@ -122,6 +124,7 @@ tools:
- 6975af39ba79
- 7226eba9c09d
- 97ccdb1ba47c
- e2fa3b23d7db
tool_panel_section_id: recetox
tool_panel_section_label: RECETOX
- name: rename_annotated_feature
Expand All @@ -139,6 +142,7 @@ tools:
- name: rcx_tk
owner: recetox
revisions:
- 320ebaa133e5
- 54401f9d1a30
- 9b4b624c4d60
tool_panel_section_id: recetox
Expand Down Expand Up @@ -220,3 +224,15 @@ tools:
- c68193aed29e
tool_panel_section_id: recetox
tool_panel_section_label: RECETOX
- name: aoptk_chemical_identifier
owner: recetox
revisions:
- 5668e27d0684
tool_panel_section_id: recetox
tool_panel_section_label: RECETOX
- name: aoptk_publication_tracker
owner: recetox
revisions:
- 0f01dc62c4f3
tool_panel_section_id: recetox
tool_panel_section_label: RECETOX
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