Mercurial > repos > bgruening > openbabel

comparison modify/remove_protonation_state.xml @ 1:e8dce9596b4c

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Uploaded
author bgruening
date Wed, 27 Mar 2013 15:25:33 -0400
parents 6493d130f018
children ec87a42dccec
comparison
equal deleted inserted replaced
0:6493d130f018 1:e8dce9596b4c
10 </command> 10 </command>
11 <inputs> 11 <inputs>
12 <param name="infile" type="data" format="sdf,smi,mol,inchi" label="Molecule file" help="Dataset missing? See TIP below"/> 12 <param name="infile" type="data" format="sdf,smi,mol,inchi" label="Molecule file" help="Dataset missing? See TIP below"/>
13 </inputs> 13 </inputs>
14 <outputs> 14 <outputs>
15 <data format="smi" name="outfile"/> 15 <data format_source="infile" name="outfile" />
16 </outputs> 16 </outputs>
17 <tests> 17 <tests>
18 <test> 18 <test>
19 </test> 19 </test>
20 </tests> 20 </tests>