| Previous changeset 3:3376374ca458 (2013-10-07) Next changeset 5:fdabd3833502 (2014-04-24) |
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Commit message:
Uploaded |
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modified:
chemicaltoolbox_merging_chemical_databases_workflow.ga |
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| diff -r 3376374ca458 -r 87bf73b6578e chemicaltoolbox_merging_chemical_databases_workflow.ga --- a/chemicaltoolbox_merging_chemical_databases_workflow.ga Mon Oct 07 12:24:53 2013 -0400 +++ b/chemicaltoolbox_merging_chemical_databases_workflow.ga Sun Oct 27 12:57:21 2013 -0400 |
| [ |
| b'@@ -1,8 +1,8 @@\n {\n- "a_galaxy_workflow": "true",\n- "annotation": "Runs the chemicaltoolbox to merge chemical libraries.<br />\\n<br />\\nThis workflow is <a href=\\"https://github.com/bgruening/galaxytools/tree/master/workflows/chemicaltoolbox\\" target=\\"_blank\\">available on the Galaxy Tool Shed</a> with a README file giving more information, and full citation details (Gruening et al. 2013).",\n+ "a_galaxy_workflow": "true", \n+ "annotation": "Runs the chemicaltoolbox to merge chemical libraries.<br />\\n<br />\\nThis workflow is <a href=\\"https://github.com/bgruening/galaxytools/tree/master/workflows/chemicaltoolbox\\" target=\\"_blank\\">available on the Galaxy Tool Shed</a> with a README file giving more information, and full citation details (Gruening et al. 2013).", \n "format-version": "0.1", \n- "name": "Preparation of a large compound library by merging of chemical databases.",\n+ "name": "Preparation of a large compound library by merging of chemical databases.", \n "steps": {\n "0": {\n "annotation": "", \n@@ -17,8 +17,8 @@\n }\n ], \n "position": {\n- "left": 291, \n- "top": 391\n+ "left": 295.7014317512512, \n+ "top": 390.7014775276184\n }, \n "post_job_actions": {\n "ChangeDatatypeActionoutput": {\n@@ -35,8 +35,8 @@\n }\n }, \n "tool_errors": null, \n- "tool_id": "ctb_online_data_fetch", \n- "tool_state": "{\\"__page__\\": 0, \\"whitelist\\": \\"\\\\\\"\\\\\\"\\", \\"url_paste\\": \\"\\\\\\"http://www.drugbank.ca/system/downloads/current/structures/all.sdf.zip\\\\\\"\\"}", \n+ "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/chemical_data_sources/ctb_online_data_fetch/0.2", \n+ "tool_state": "{\\"__page__\\": 0, \\"whitelist\\": \\"\\\\\\"\\\\\\"\\", \\"__rerun_remap_job_id__\\": null, \\"url_paste\\": \\"\\\\\\"http://www.drugbank.ca/system/downloads/current/structures/all.sdf.zip\\\\\\"\\"}", \n "tool_version": "0.2", \n "type": "tool", \n "user_outputs": []\n@@ -54,8 +54,8 @@\n }\n ], \n "position": {\n- "left": 304, \n- "top": 733\n+ "left": 308.70491075515747, \n+ "top": 732.6979985237122\n }, \n "post_job_actions": {\n "ChangeDatatypeActionoutput": {\n@@ -72,8 +72,8 @@\n }\n }, \n "tool_errors": null, \n- "tool_id": "ctb_online_data_fetch", \n- "tool_state": "{\\"__page__\\": 0, \\"whitelist\\": \\"\\\\\\"\\\\\\"\\", \\"url_paste\\": \\"\\\\\\"http://zinc.docking.org/db/bysubset/6/6_p0.smi.gz\\\\\\\\nhttp://zinc.docking.org/db/bysubset/46/46_p0.smi.gz\\\\\\"\\"}", \n+ "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/chemical_data_sources/ctb_online_data_fetch/0.2", \n+ "tool_state": "{\\"__page__\\": 0, \\"whitelist\\": \\"\\\\\\"\\\\\\"\\", \\"__rerun_remap_job_id__\\": null, \\"url_paste\\": \\"\\\\\\"http://zinc.docking.org/db/bysubset/6/6_p0.smi.gz\\\\\\\\nhttp://zinc.docking.org/db/bysubset/46/46_p0.smi.gz\\\\\\"\\"}", \n "tool_version": "0.2", \n "type": "tool", \n "user_outputs": []\n@@ -91,8 +91,8 @@\n }\n ], \n "position": {\n- "left": 305, \n- "top": 1048\n+ "left": 309.7118077278137, \n+ "top": 1047.6980214118958\n }, \n "post_job_actions": {\n "ChangeDatatypeActionoutput": {\n@@ -109,8 +109,8 @@\n }\n }, \n "tool_errors": null, \n- "tool_id": "ctb_online_data_fetch", \n- "tool_state": "{\\"__page__\\": 0, \\"whitelist\\": \\"\\\\\\"\\\\\\"\\", \\"url_paste\\": \\"\\\\\\"ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_17/chembl_17.sdf.gz\\\\\\"\\"}", \n+ "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/'..b' }\n }, \n "tool_errors": null, \n- "tool_id": "ctb_remIons", \n- "tool_state": "{\\"__page__\\": 0, \\"infile\\": \\"null\\"}", \n+ "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/openbabel/ctb_remIons/1.0", \n+ "tool_state": "{\\"__page__\\": 0, \\"__rerun_remap_job_id__\\": null, \\"infile\\": \\"null\\"}", \n "tool_version": "1.0", \n "type": "tool", \n "user_outputs": []\n@@ -1081,8 +1081,8 @@\n }\n ], \n "position": {\n- "left": 2447, \n- "top": 795\n+ "left": 2451.7085728645325, \n+ "top": 794.711884021759\n }, \n "post_job_actions": {\n "HideDatasetActionout_file1": {\n@@ -1093,7 +1093,7 @@\n }, \n "tool_errors": null, \n "tool_id": "Grep1", \n- "tool_state": "{\\"__page__\\": 0, \\"input\\": \\"null\\", \\"invert\\": \\"\\\\\\"true\\\\\\"\\", \\"pattern\\": \\"\\\\\\"\\\\\\\\\\\\\\\\*\\\\\\"\\"}", \n+ "tool_state": "{\\"__page__\\": 0, \\"input\\": \\"null\\", \\"invert\\": \\"\\\\\\"true\\\\\\"\\", \\"__rerun_remap_job_id__\\": null, \\"pattern\\": \\"\\\\\\"\\\\\\\\\\\\\\\\*\\\\\\"\\"}", \n "tool_version": "1.0.1", \n "type": "tool", \n "user_outputs": []\n@@ -1116,8 +1116,8 @@\n }\n ], \n "position": {\n- "left": 2444, \n- "top": 678\n+ "left": 2448.7049107551575, \n+ "top": 677.6979985237122\n }, \n "post_job_actions": {\n "ChangeDatatypeActionoutfile": {\n@@ -1136,8 +1136,8 @@\n }\n }, \n "tool_errors": null, \n- "tool_id": "bg_uniq", \n- "tool_state": "{\\"adv_opts\\": \\"{\\\\\\"adv_opts_selector\\\\\\": \\\\\\"basic\\\\\\", \\\\\\"__current_case__\\\\\\": 0}\\", \\"input\\": \\"null\\", \\"ignore_case\\": 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"tool_version": "0.3", \n "type": "tool", \n "user_outputs": []\n' |