File: upstream-example

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openchemlib 2026.2.2%2Bds-1
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#!/bin/sh

java -Xmx2g -classpath /usr/share/java/openchemlib.jar \
    com.actelion.research.chem.properties.fractaldimension.FractalDimensionMoleculeMain \
    -i examples/FractalDimension/adamantane.smi -w ${AUTOPKGTEST_TMP}

cat ${AUTOPKGTEST_TMP}/fractalDimensionMoleculeResult.txt