diff --git a/workflows/computational-chemistry/fragment-based-docking-scoring/CHANGELOG.md b/workflows/computational-chemistry/fragment-based-docking-scoring/CHANGELOG.md index 63f0303ce..454b9b016 100644 --- a/workflows/computational-chemistry/fragment-based-docking-scoring/CHANGELOG.md +++ b/workflows/computational-chemistry/fragment-based-docking-scoring/CHANGELOG.md @@ -1,5 +1,11 @@ # Changelog +## [0.1.4] 2023-02-14 + +### Fixed +- Fix the changeset revisions for 2 tool shed repositories +- Sync version of ``openbabel_compund_convert`` step to newest version + ## [0.1.3] 2022-05-25 ### Changed diff --git a/workflows/computational-chemistry/fragment-based-docking-scoring/fragment-based-docking-scoring.ga b/workflows/computational-chemistry/fragment-based-docking-scoring/fragment-based-docking-scoring.ga index 57b2d147e..158f35f31 100644 --- a/workflows/computational-chemistry/fragment-based-docking-scoring/fragment-based-docking-scoring.ga +++ b/workflows/computational-chemistry/fragment-based-docking-scoring/fragment-based-docking-scoring.ga @@ -16,7 +16,7 @@ "format-version": "0.1", "license": "MIT", "name": "Fragment-based virtual screening using rDock for docking and SuCOS for pose scoring", - "release": "0.1.3", + "release": "0.1.4", "steps": { "0": { "annotation": "Number of docking poses to generate per input compound", @@ -491,7 +491,7 @@ }, "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/rxdock_rbcavity/rxdock_rbcavity/2013.1.1_148c5bd1+galaxy0", "tool_shed_repository": { - "changeset_revision": "7e5c2e4bc227", + "changeset_revision": "0848d3b1a46f", "name": "rxdock_rbcavity", "owner": "bgruening", "tool_shed": "toolshed.g2.bx.psu.edu" @@ -504,7 +504,7 @@ }, "12": { "annotation": "", - "content_id": "toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/2.4.2.2.0", + "content_id": "toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/3.1.1+galaxy0", "errors": null, "id": 12, "input_connections": { @@ -539,7 +539,7 @@ "output_name": "outfile" } }, - "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/2.4.2.2.0", + "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/3.1.1+galaxy0", "tool_shed_repository": { "changeset_revision": "e2c36f62e22f", "name": "openbabel_compound_convert", @@ -547,7 +547,7 @@ "tool_shed": "toolshed.g2.bx.psu.edu" }, "tool_state": "{\"appendtotitle\": \"\", \"dative_bonds\": \"false\", \"infile\": {\"__class__\": \"ConnectedValue\"}, \"oformat\": {\"oformat_opts_selector\": \"sdf\", \"__current_case__\": 58, \"sdf_exp_h\": \"false\", \"sdf_no_prop\": \"false\", \"sdf_wedge_bonds\": \"false\", \"sdf_alias_out\": \"false\", \"gen2d\": \"false\", \"gen3d\": \"true\"}, \"ph\": \"7.4\", \"remove_h\": \"false\", \"split\": \"false\", \"unique\": {\"unique_opts_selector\": \"\", \"__current_case__\": 0}, \"__page__\": null, \"__rerun_remap_job_id__\": null}", - "tool_version": "2.4.2.2.0", + "tool_version": "3.1.1+galaxy0", "type": "tool", "uuid": "7f069b7b-a0c0-474a-9e33-052ab9318658", "workflow_outputs": [] @@ -651,7 +651,7 @@ "post_job_actions": {}, "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/rxdock_rbdock/rxdock_rbdock/2013.1.1_148c5bd1+galaxy0", "tool_shed_repository": { - "changeset_revision": "c362398df83b", + "changeset_revision": "b34d068c2782", "name": "rxdock_rbdock", "owner": "bgruening", "tool_shed": "toolshed.g2.bx.psu.edu"