# HG changeset patch # User bgruening # Date 1382893041 14400 # Node ID 87bf73b6578e40a5e4feef693bc678e123baf481 # Parent 3376374ca4583e4635aa5a12ac651dfa80cc0d0d Uploaded 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 @@ -1,8 +1,8 @@ { - "a_galaxy_workflow": "true", - "annotation": "Runs the chemicaltoolbox to merge chemical libraries.
\n
\nThis workflow is available on the Galaxy Tool Shed with a README file giving more information, and full citation details (Gruening et al. 2013).", + "a_galaxy_workflow": "true", + "annotation": "Runs the chemicaltoolbox to merge chemical libraries.
\n
\nThis workflow is available on the Galaxy Tool Shed with a README file giving more information, and full citation details (Gruening et al. 2013).", "format-version": "0.1", - "name": "Preparation of a large compound library by merging of chemical databases.", + "name": "Preparation of a large compound library by merging of chemical databases.", "steps": { "0": { "annotation": "", @@ -17,8 +17,8 @@ } ], "position": { - "left": 291, - "top": 391 + "left": 295.7014317512512, + "top": 390.7014775276184 }, "post_job_actions": { "ChangeDatatypeActionoutput": { @@ -35,8 +35,8 @@ } }, "tool_errors": null, - "tool_id": "ctb_online_data_fetch", - "tool_state": "{\"__page__\": 0, \"whitelist\": \"\\\"\\\"\", \"url_paste\": \"\\\"http://www.drugbank.ca/system/downloads/current/structures/all.sdf.zip\\\"\"}", + "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/chemical_data_sources/ctb_online_data_fetch/0.2", + "tool_state": "{\"__page__\": 0, \"whitelist\": \"\\\"\\\"\", \"__rerun_remap_job_id__\": null, \"url_paste\": \"\\\"http://www.drugbank.ca/system/downloads/current/structures/all.sdf.zip\\\"\"}", "tool_version": "0.2", "type": "tool", "user_outputs": [] @@ -54,8 +54,8 @@ } ], "position": { - 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"tool_id": "ctb_online_data_fetch", - "tool_state": "{\"__page__\": 0, \"whitelist\": \"\\\"\\\"\", \"url_paste\": \"\\\"ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_17/chembl_17.sdf.gz\\\"\"}", + "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/chemical_data_sources/ctb_online_data_fetch/0.2", + "tool_state": "{\"__page__\": 0, \"whitelist\": \"\\\"\\\"\", \"__rerun_remap_job_id__\": null, \"url_paste\": \"\\\"ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_16/chembl_16.sdf.gz\\\"\"}", "tool_version": "0.2", "type": "tool", "user_outputs": [] @@ -128,8 +128,8 @@ } ], "position": { - "left": 312, - "top": 1448 + "left": 316.70832872390747, + "top": 1447.6980290412903 }, "post_job_actions": { "ChangeDatatypeActionpubchem_smi": { @@ -146,8 +146,8 @@ } }, "tool_errors": null, - "tool_id": "ctb_pubchem_download_as_smiles", - "tool_state": "{\"__page__\": 0, \"infile\": \"null\"}", + "tool_id": "toolshed.g2.bx.psu.edu/repos/bgruening/chemical_data_sources/ctb_pubchem_download_as_smiles/1.0.0", + "tool_state": "{\"__page__\": 0, \"__rerun_remap_job_id__\": null, \"infile\": \"null\"}", "tool_version": "1.0.0", "type": "tool", "user_outputs": [] @@ -170,8 +170,8 @@ } ], "position": { - 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