Mercurial > repos > bgruening > ctb_rdkit_descriptors
changeset 1:13c6f797f1c3 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdkit commit e47eeb5a5744d0989b0225fd9602bce912a5e517
author | bgruening |
---|---|
date | Tue, 21 May 2019 09:08:54 -0400 |
parents | 749cc765636b |
children | 6674260c1459 |
files | rdkit_descriptors.xml |
diffstat | 1 files changed, 2 insertions(+), 2 deletions(-) [+] |
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--- a/rdkit_descriptors.xml Tue May 07 13:40:22 2019 -0400 +++ b/rdkit_descriptors.xml Tue May 21 09:08:54 2019 -0400 @@ -1,11 +1,11 @@ -<tool id="ctb_rdkit_descriptors" name="Descriptors" version="0.4"> +<tool id="ctb_rdkit_descriptors" name="Descriptors" version="0.5"> <description>calculated with RDKit</description> <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism--> <requirements> <requirement type="package" version="2019.03.1">rdkit</requirement> </requirements> - <command> + <command detect_errors="exit_code"> <![CDATA[ python '$__tool_directory__/rdkit_descriptors.py' -i '${infile}'