def desc_calc():
    bashCommand = 'java -Xms2G -Xmx2G -Djava.awt.headless=true -jar ./PaDEL-Descriptor/PaDEL-Descriptor.jar -removesalt -standardizenitro -fingerprints -descriptortypes ./PaDEL-Descriptor/PubchemFingerprinter.xml -dir ./ -file descriptors_output.csv'
    process = subprocess.Popen(bashCommand.split(), stdout=subprocess.PIPE)
    (output, error) = process.communicate()
    os.remove('molecule.smi')
def desc_calc():
    bashCommand = 'java -Xms2G -Xmx2G -Djava.awt.headless=true -jar ./PaDEL-Descriptor/PaDEL-Descriptor.jar -removesalt -standardizenitro -fingerprints -descriptortypes ./PaDEL-Descriptor/PubchemFingerprinter.xml -dir ./ -file descriptors_output.csv'
    process = subprocess.Popen(bashCommand.split(), stdout=subprocess.PIPE)
    (output, error) = process.communicate()
    os.remove('molecule.smi')