| Previous changeset 6:11952f619e90 (2018-09-03) Next changeset 8:e70dc90a1e58 (2019-05-10) |
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Commit message:
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e |
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modified:
macros.xml ob_remSmall.xml |
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added:
test-data/2_mol.dat test-data/CO.smarts |
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| diff -r 11952f619e90 -r c8d8caa9a54d macros.xml --- a/macros.xml Mon Sep 03 16:39:47 2018 -0400 +++ b/macros.xml Tue May 07 13:38:18 2019 -0400 |
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| @@ -1,9 +1,10 @@ <macros> - <token name="@VERSION@">2.4.1</token> + <token name="@VERSION@">2.4.2</token> <xml name="requirements"> <requirements> <requirement type="package" version="2.4.1">openbabel</requirement> + <requirement type="package" version="3">python</requirement> <yield /> </requirements> </xml> @@ -37,6 +38,3 @@ </citations> </xml> </macros> - - - |
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| diff -r 11952f619e90 -r c8d8caa9a54d ob_remSmall.xml --- a/ob_remSmall.xml Mon Sep 03 16:39:47 2018 -0400 +++ b/ob_remSmall.xml Tue May 07 13:38:18 2019 -0400 |
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| @@ -1,5 +1,5 @@ <tool id="openbabel_remSmall" name="Remove small molecules" version="@VERSION@.0"> - <description></description> + <description>from a library of compounds</description> <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism--> <macros> <import>macros.xml</import> @@ -46,7 +46,7 @@ **Hint** -Some libraries may contain molecules without a 1D/3D descriptor. These molecules may provoke crashes of any other tool. It is strongly adviced to run this tool before proceeding to any further steps. +Some libraries may contain molecules without a 1D/3D descriptor, which may provoke crashes of any other tool. It is strongly advised to run this tool before proceeding to any further steps. ----- |
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| diff -r 11952f619e90 -r c8d8caa9a54d test-data/2_mol.dat --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/2_mol.dat Tue May 07 13:38:18 2019 -0400 |
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| @@ -0,0 +1,2 @@ +CC(=O)OC1=CC=CC=C1C(=O)[O-] +CC(=O)OC1=CC=CC=C1C(=O)[O-] |
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| diff -r 11952f619e90 -r c8d8caa9a54d test-data/CO.smarts --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/CO.smarts Tue May 07 13:38:18 2019 -0400 |
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| @@ -0,0 +1,1 @@ +CO |