get.volume giving error

[garimaloh]

am trying to use get.volume to get the molecular volume. But i am getting error. Please would you help me to resolve the issue.

Here is my code:

mols <- parse.smiles(pep[4,SMILES])[[1]] convert.implicit.to.explicit(mols) get.tpsa(mols) [1] 624.96 get.volume(mols) Error in .jcall("RJavaTools", "Ljava/lang/Object;", "invokeMethod", cl, : org.openscience.cdk.exception.NoSuchAtomTypeException: The AtomType null could not be found