From 574647bff0700a4f5c051ac67823425c12ecf5ef Mon Sep 17 00:00:00 2001 From: thepineapplepirate Date: Fri, 7 Jun 2024 14:31:38 -0400 Subject: [PATCH 1/3] add 3 new psp tools --- usegalaxy.org/chemicaltoolbox.yml | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/usegalaxy.org/chemicaltoolbox.yml b/usegalaxy.org/chemicaltoolbox.yml index 9b91d517..3f165ac2 100644 --- a/usegalaxy.org/chemicaltoolbox.yml +++ b/usegalaxy.org/chemicaltoolbox.yml @@ -244,3 +244,9 @@ tools: owner: chemteam - name: gmx_rmsf owner: chemteam +- name: qiskit_xyz2pdb + owner: chemteam +- name: pulchra + owner: chemteam +- name: biopdb_align_and_rmsd + owner: chemteam \ No newline at end of file From b1de3302a07f193511c614342028a23bbf97af77 Mon Sep 17 00:00:00 2001 From: thepineapplepirate Date: Tue, 11 Jun 2024 14:50:11 -0400 Subject: [PATCH 2/3] added tools to lock file --- usegalaxy.org/chemicaltoolbox.yml.lock | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/usegalaxy.org/chemicaltoolbox.yml.lock b/usegalaxy.org/chemicaltoolbox.yml.lock index 127deb95..c3325cce 100644 --- a/usegalaxy.org/chemicaltoolbox.yml.lock +++ b/usegalaxy.org/chemicaltoolbox.yml.lock @@ -795,3 +795,15 @@ tools: - f261fded9631 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox +- name: qiskit_xyz2pdb + owner: chemteam + tool_panel_section_id: chemicaltoolbox + tool_panel_section_label: ChemicalToolBox +- name: pulchra + owner: chemteam + tool_panel_section_id: chemicaltoolbox + tool_panel_section_label: ChemicalToolBox +- name: biopdb_align_and_rmsd + owner: chemteam + tool_panel_section_id: chemicaltoolbox + tool_panel_section_label: ChemicalToolBox \ No newline at end of file From 95e4bae961f142f8b4b5ad24c2362549a8a8ea9c Mon Sep 17 00:00:00 2001 From: mvdbeek Date: Thu, 13 Jun 2024 10:55:02 +0200 Subject: [PATCH 3/3] Run make fix --- usegalaxy.org/chemicaltoolbox.yml.lock | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/usegalaxy.org/chemicaltoolbox.yml.lock b/usegalaxy.org/chemicaltoolbox.yml.lock index c3325cce..195a1cd1 100644 --- a/usegalaxy.org/chemicaltoolbox.yml.lock +++ b/usegalaxy.org/chemicaltoolbox.yml.lock @@ -797,13 +797,19 @@ tools: tool_panel_section_label: ChemicalToolBox - name: qiskit_xyz2pdb owner: chemteam + revisions: + - 7372df4e8513 tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox - name: pulchra owner: chemteam + revisions: + - 212ccef97a3a tool_panel_section_id: chemicaltoolbox tool_panel_section_label: ChemicalToolBox - name: biopdb_align_and_rmsd owner: chemteam + revisions: + - 6352d6dd74e2 tool_panel_section_id: chemicaltoolbox - tool_panel_section_label: ChemicalToolBox \ No newline at end of file + tool_panel_section_label: ChemicalToolBox