Mercurial > repos > bgruening > openmg
comparison openmg.xml @ 3:18ed72686994 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openmg commit a44364ca5bccd47f9f331143e1abb286096e8807
| author | bgruening |
|---|---|
| date | Sat, 20 May 2017 12:40:20 -0400 |
| parents | a65ba7f4f8ea |
| children | c63a202a1ef3 |
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| 2:a65ba7f4f8ea | 3:18ed72686994 |
|---|---|
| 4 <requirement type="package" version="0.1">openmg</requirement> | 4 <requirement type="package" version="0.1">openmg</requirement> |
| 5 </requirements> | 5 </requirements> |
| 6 <command detect_errors="aggressive"> | 6 <command detect_errors="aggressive"> |
| 7 <![CDATA[ | 7 <![CDATA[ |
| 8 openmg | 8 openmg |
| 9 -ec "$ec" | 9 -ec '$ec' |
| 10 #if $fr: | 10 #if $fr: |
| 11 -fr "$sdf_outfile" | 11 -fr '$sdf_outfile' |
| 12 #end if | 12 #end if |
| 13 -o "$outfile" | 13 -o '$outfile' |
| 14 ]]> | 14 ]]> |
| 15 </command> | 15 </command> |
| 16 <inputs> | 16 <inputs> |
| 17 <param argument="-ec" type="text" label="Elemental composition of the molecules to be generated" | 17 <param argument="-ec" type="text" label="Elemental composition of the molecules to be generated" |
| 18 help="e.g. C2H5NO2"/> | 18 help="e.g. C2H5NO2"/> |