Mercurial > repos > marcel > caddsuite_workflows
view IMGDock,_unparallelized.ga @ 2:39def4dc6718 default tip
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author | marcel |
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date | Thu, 19 Jan 2012 15:15:13 -0500 |
parents | e047a2629ecf |
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{ "a_galaxy_workflow": "true", "annotation": "", "format-version": "0.1", "name": "IMGDock, unparallelized", "steps": { "0": { "annotation": "", "id": 0, "input_connections": {}, "inputs": [ { "description": "", "name": "Receptor" } ], "name": "Input dataset", "outputs": [], "position": { "left": 200, "top": 132 }, "tool_errors": null, "tool_id": null, "tool_state": "{\"name\": \"Receptor\"}", "tool_version": null, "type": "data_input", "user_outputs": [] }, "1": { "annotation": "", "id": 1, "input_connections": {}, "inputs": [ { "description": "", "name": "Reference ligand" } ], "name": "Input dataset", "outputs": [], "position": { "left": 204, "top": 209 }, "tool_errors": null, "tool_id": null, "tool_state": "{\"name\": \"Reference ligand\"}", "tool_version": null, "type": "data_input", "user_outputs": [] }, "2": { "annotation": "", "id": 2, "input_connections": {}, "inputs": [ { "description": "", "name": "ScoreGrid file" } ], "name": "Input dataset", "outputs": [], "position": { "left": 204, "top": 296 }, "tool_errors": null, "tool_id": null, "tool_state": "{\"name\": \"ScoreGrid file\"}", "tool_version": null, "type": "data_input", "user_outputs": [] }, "3": { "annotation": "", "id": 3, "input_connections": {}, "inputs": [ { "description": "", "name": "Configuration file (optional)" } ], "name": "Input dataset", "outputs": [], "position": { "left": 203, "top": 383 }, "tool_errors": null, "tool_id": null, "tool_state": "{\"name\": \"Configuration file (optional)\"}", "tool_version": null, "type": "data_input", "user_outputs": [] }, "4": { "annotation": "", "id": 4, "input_connections": {}, "inputs": [ { "description": "", "name": "Compounds to be docked" } ], "name": "Input dataset", "outputs": [], "position": { "left": 198.5, "top": 476 }, "tool_errors": null, "tool_id": null, "tool_state": "{\"name\": \"Compounds to be docked\"}", "tool_version": null, "type": "data_input", "user_outputs": [] }, "5": { "annotation": "", "id": 5, "input_connections": { "i": { "id": 4, "output_name": "output" } }, "inputs": [], "name": "Ligand3DGenerator", "outputs": [ { "name": "o", "type": "mol2/sdf/drf" } ], "position": { "left": 417.5, "top": 366 }, "tool_errors": null, "tool_id": "ligand3dgenerator", "tool_state": "{\"i\": \"null\", \"rm\": \"\\\"False\\\"\", \"ph\": \"\\\"7.0\\\"\", \"__page__\": 0}", "tool_version": "1.1", "type": "tool", "user_outputs": [] }, "6": { "annotation": "", "id": 6, "input_connections": { "i": { "id": 5, "output_name": "o" } }, "inputs": [], "name": "LigCheck", "outputs": [ { "name": "o", "type": "mol2/sdf/drf" } ], "position": { "left": 654, "top": 370 }, "tool_errors": null, "tool_id": "ligcheck", "tool_state": "{\"__page__\": 0, \"nc\": \"\\\"False\\\"\", \"i\": \"null\", \"ut\": \"\\\"True\\\"\", \"ef\": \"\\\"0.5\\\"\", \"rm\": \"\\\"True\\\"\", \"ri\": \"\\\"True\\\"\"}", "tool_version": "1.1", "type": "tool", "user_outputs": [] }, "7": { "annotation": "", "id": 7, "input_connections": { "grd": { "id": 2, "output_name": "output" }, "i": { "id": 6, "output_name": "o" }, "ini": { "id": 3, "output_name": "output" }, "rec": { "id": 0, "output_name": "output" }, "rl": { "id": 1, "output_name": "output" } }, "inputs": [], "name": "IMGDock", "outputs": [ { "name": "o", "type": "mol2/sdf/drf" } ], "position": { "left": 871, "top": 368 }, "tool_errors": null, "tool_id": "imeedydock", "tool_state": "{\"__page__\": 0, \"i\": \"null\", \"grd\": \"null\", \"ini\": \"null\", \"rm\": \"\\\"True\\\"\", \"rl\": \"null\", \"rec\": \"null\"}", "tool_version": "1.1", "type": "tool", "user_outputs": [] }, "8": { "annotation": "", "id": 8, "input_connections": { "series_i_0|i": { "id": 7, "output_name": "o" } }, "inputs": [], "name": "DockResultMerger", "outputs": [ { "name": "o", "type": "mol2/sdf/drf" } ], "position": { "left": 1095.5, "top": 431 }, "tool_errors": null, "tool_id": "dockresultmerger", "tool_state": "{\"__page__\": 0, \"min\": \"\\\"\\\"\", \"max\": \"\\\"\\\"\", \"k\": \"\\\"\\\"\", \"score\": \"\\\"score\\\"\", \"series_i\": \"[{\\\"i\\\": null, \\\"__index__\\\": 0}]\", \"rm\": \"\\\"False\\\"\"}", "tool_version": "1.1", "type": "tool", "user_outputs": [] } } }