Mercurial > repos > bgruening > chembl
changeset 4:59eea7d0d720 draft
"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit f5c316339ed36a0469f4862d00fa0e5cafebc041"
| author | bgruening |
|---|---|
| date | Tue, 19 May 2020 05:34:34 -0400 |
| parents | 8b6ba267714b |
| children | 1ade252ebe08 |
| files | chembl.py chembl.xml test-data/in1.smi |
| diffstat | 3 files changed, 6 insertions(+), 5 deletions(-) [+] |
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--- a/chembl.py Wed Apr 01 07:04:25 2020 -0400 +++ b/chembl.py Tue May 19 05:34:34 2020 -0400 @@ -5,7 +5,7 @@ def open_file(filename): with open(filename) as f: - return f.readline() + return f.readline().split()[0] def get_smiles(res): """
--- a/chembl.xml Wed Apr 01 07:04:25 2020 -0400 +++ b/chembl.xml Tue May 19 05:34:34 2020 -0400 @@ -1,10 +1,11 @@ -<tool id="chembl" name="Search ChEMBL database" version="@VERSION@"> +<tool id="chembl" name="Search ChEMBL database" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@"> <macros> - <token name="@VERSION@">0.10.1</token> + <token name="@TOOL_VERSION@">0.10.1</token> + <token name="@GALAXY_VERSION@">1</token> </macros> <description>for compounds which are similar to a SMILES string</description> <requirements> - <requirement type="package" version="@VERSION@">chembl_webresource_client</requirement> + <requirement type="package" version="@TOOL_VERSION@">chembl_webresource_client</requirement> </requirements> <command detect_errors="exit_code"><![CDATA[ python -W ignore '$__tool_directory__/chembl.py'