comparison select_mol.xml @ 0:68300206e90d draft default tip

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0:68300206e90d

<?xml version="1.0"?>
<tool id="aaacaret004" name="Extract Compound IDs From Prediction Result based on scores " version="1.0.1">
<description>This tool extracts compounds from prediction result based on given score</description>
<command interpreter="Rscript">mayachemtool/condition.R $predictionfile $LT $GT $type $SelectedCompound </command>

<inputs>
<param name="predictionfile" type="data" format="txt,csv,tabular" label="Predition Result File" help ="upload gcac prediction result file " /> 
<param name="type" type="select" label="Active/Positive or Inactive/Negative" help ="select type of molecule">
	<option value="Active" selected="True">Active/Positive</option> 
	<option value="Inactive">Inactive/Negative</option>
</param> 
<param name="GT" type="float" value="0.5" label="Score greater than and equal to" help ="define value above which compound selected default is 0.5" /> 
<param name="LT" type="float" value="1.0" label="Score less than and equal to" help ="define value below which compound selected default is 1" /> 
</inputs>
<outputs>
<data name="SelectedCompound" type="data" format="txt" label="Refind-${predictionfile.name}" />
</outputs>
<help>
</help>
</tool>