| macro buildEvolutionaryLibrary from a mac terminal [message #1621] |
Sat, 04 June 2022 12:17  |
Bruno
Messages: 4
Registered: June 2022
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Junior Member |
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Dear Thomas
I am trying to run a macro directly from the terminal on a MAc (i haven t tried yet on Linux)... The content of this test macro is below.
When i open it in DataWarrior it runs fine. When i run from the Terminal, it doesn t. Would you have some advice ?
many thanks
Bruno
<macro name=“TestMacro">
<task name="buildEvolutionaryLibrary">
paramConfig2=rotatableBonds 15 0
paramConfig1=cLogP 8 0
paramConfig0=molweight 350 750 0
kind=drugs
generationCount=automatic
survivalCount=32
startSet=ek`\JD@AGFnMOIc`Ha@HRYWmYUyWYgHhl\JjvNijZji`@jZfJAQ @@
generationSize=256
paramCount=3
</task>
<task name="selectWindow">
viewName=Evolutionary Library
</task>
<task name="selectView">
viewName=Table
</task>
<task name="deleteColumns">
defCriterion=
columnList=Child No cLogP cLogP Fitness Fitness Generation Molecular weight Molecular weight Fitness Parent Generation Parent ID Rotatable bond count Rotatable bond count Fitness
columnDefMode=list
</task>
<task name="findAndReplace">
isStructure=false
column=ID
isRegex=true
what=$
with=-coag
</task>
<task name="addSmilesCodes">
structureColumn=Structure
</task>
<task name="calculateCompoundProperties">
propertyList=nasty
structureColumn=Structure
</task>
<task name="deleteColumns">
defCriterion=
columnList=Structure
columnDefMode=list
</task>
<task name="saveTextFile">
fileName=/Users/Test/Desktop/Test-collection.dir/Evolutionar y_Library-coagulation.txt
</task>
<task name="closeWindow">
</task>
</macro>
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