Mercurial > repos > bgruening > openbabel_remsmall

comparison ob_remSmall.xml @ 7:c8d8caa9a54d draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
author bgruening
date Tue, 07 May 2019 13:38:18 -0400
parents 2704d4017b13
children aebc671bae78
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6:11952f619e90 7:c8d8caa9a54d
1 <tool id="openbabel_remSmall" name="Remove small molecules" version="@VERSION@.0"> 1 <tool id="openbabel_remSmall" name="Remove small molecules" version="@VERSION@.0">
2 <description></description> 2 <description>from a library of compounds</description>
3 <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism--> 3 <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism-->
4 <macros> 4 <macros>
5 <import>macros.xml</import> 5 <import>macros.xml</import>
6 </macros> 6 </macros>
7 <expand macro="requirements"/> 7 <expand macro="requirements"/>
44 44
45 .. class:: warningmark 45 .. class:: warningmark
46 46
47 **Hint** 47 **Hint**
48 48
49 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. 49 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.
50 50
51 ----- 51 -----
52 52
53 .. class:: infomark 53 .. class:: infomark
54 54