User 8961c1b53b
29-09-2014 17:39:44
I get this error, if I feed the attached mol file into the attached custom script.
Thanks
Sam
Exception in thread "main" java.lang.RuntimeException: sgroups[0] == null in clonecopy
at chemaxon.struc.Molecule.clonecopySgroups(Unknown Source)
at chemaxon.struc.Molecule.clonecopy(Unknown Source)
at chemaxon.struc.Molecule.cloneMolecule(Unknown Source)
at chemaxon.struc.Molecule.cloneMoleculeWithDocument(Unknown Source)
at chemaxon.marvin.plugin.CalculatorPlugin.setMolecule(CalculatorPlugin.java:810)
at chemaxon.marvin.calculations.MajorMicrospeciesPlugin.setMolecule(MajorMicrospeciesPlugin.java:106)
at chemaxon.marvin.plugin.CalculatorPlugin.setMolecule(CalculatorPlugin.java:777)
at chemaxon.marvin.plugin.CalculatorPlugin.setMolecule(CalculatorPlugin.java:760)
at ChargeMol.main(ChargeMol.java:46)