Mercurial > repos > bgruening > chemfp
comparison nxn_clustering.xml @ 11:92c7cdc243e8 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit 70d32dc05d264ffbe03b0c62e54acd5e904c9b7e-dirty"
| author | bgruening |
|---|---|
| date | Wed, 24 Jun 2020 13:12:05 -0400 |
| parents | 73de2fe4bf92 |
| children | 3b14765c22ee |
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| 10:73de2fe4bf92 | 11:92c7cdc243e8 |
|---|---|
| 1 <tool id="ctb_chemfp_nxn_clustering" name="NxN clustering" version="1.5.1"> | 1 <tool id="ctb_chemfp_nxn_clustering" name="NxN clustering" version="1.6"> |
| 2 <description>of molecular fingerprints</description> | 2 <description>of molecular fingerprints</description> |
| 3 <requirements> | 3 <requirements> |
| 4 <requirement type="package" version="1.5">chemfp</requirement> | 4 <requirement type="package" version="1.6">chemfp</requirement> |
| 5 <requirement type="package" version="2.2.3">matplotlib</requirement> | 5 <requirement type="package" version="2.2.5">matplotlib</requirement> |
| 6 <requirement type="package" version="1.2.1">scipy</requirement> | 6 <requirement type="package" version="1.2.1">scipy</requirement> |
| 7 <requirement type="package" version="2.4.1">openbabel</requirement> | |
| 8 </requirements> | 7 </requirements> |
| 9 <command detect_errors="exit_code"> | 8 <command detect_errors="exit_code"> |
| 10 <![CDATA[ | 9 <![CDATA[ |
| 11 python '$__tool_directory__/nxn_clustering.py' | 10 python '$__tool_directory__/nxn_clustering.py' |
| 12 -i '$infile' | 11 -i '$infile' |