outputPath:: results.tsv
pharmDic:: {1: {'type': 'Acceptor', 'coords': (22.993, 12.245, 54.695), 'radius': 1.0}, 2: {'type': 'Acceptor', 'coords': (22.22, 6.451, 65.257), 'radius': 1.0}, 3: {'type': 'Hydrophobe', 'coords': (23.302, 9.665000000000001, 59.799285714285716), 'radius': 2.1524724511735878}}
downSample:: False
optimize:: False
nAlignments:: 5
maxSSD:: 20.0
ligandFiles:: /data/data/PGG_scipionChem/Runs/012115_ProtocolPharmacophoreFiltering/extra/inputSmallMolecules/decoys_1_1a28.pdb /data/data/PGG_scipionChem/Runs/012115_ProtocolPharmacophoreFiltering/extra/inputSmallMolecules/decoys_2_1a28.pdb /data/data/PGG_scipionChem/Runs/012115_ProtocolPharmacophoreFiltering/extra/inputSmallMolecules/active_1a28.pdb /data/data/PGG_scipionChem/Runs/012115_ProtocolPharmacophoreFiltering/extra/inputSmallMolecules/decoys_3_1a28.pdb
