Mercurial > repos > bgruening > openbabel_compound_convert

comparison test-data/ob_convert_on_CID2244.cml @ 12:1c66bf08f687 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:41:13 -0400
parents edb576416262
children
comparison
equal deleted inserted replaced
11:b59c91adeac1 12:1c66bf08f687
1 <?xml version="1.0"?> 1 <?xml version="1.0"?>
2 <molecule id="id2244" xmlns="http://www.xml-cml.org/schema"> 2 <molecule id="id2244" xmlns="http://www.xml-cml.org/schema">
3 <atomArray> 3 <atomArray>
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25 </atomArray> 25 </atomArray>
26 <bondArray> 26 <bondArray>
27 <bond atomRefs2="a1 a5" order="1"/> 27 <bond atomRefs2="a1 a5" order="1"/>
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29 <bond atomRefs2="a2 a11" order="1"/> 29 <bond atomRefs2="a2 a11" order="1"/>