How to getExactMass() of a molecule?

User 8ef5099b33

30-12-2009 01:08:49

This may be a dumb question.

But how do I get the exact mass of a molecule?

import chemaxon.struc.Molecule;
Molecule m = ....;

I can get the average mass of the molecule --> m.getMass();

But I am unable to access the exact mass --> m.getExactMass();


Do I need an additional license?
Am I missing something truly basic?

Thanks,
Guy

version info:
jchem.version=5.2.0
jchem.main.version=5.2
jchem.veruln=5_2_0
# include only numeric characters (and dots)
# give this property if version id incluses alphabetic characters
jchem.vernum=5.2.0
jchem.date=2009.03.10
jchem.table.version=5020005


ChemAxon e274e1bada

30-12-2009 01:40:50

Hi,


I have moved the topic to the appropriate forum. The Marvin experts will respond soon.


Regards, Edvard

User 870ab5b546

31-12-2009 02:55:50

This method works fine for me in JChem 5.2.6.

ChemAxon 9c0afc9aaf

31-12-2009 15:48:33

Hi,

But I am unable to access the exact mass --> m.getExactMass();




Could you share some more details on this ?

Do you get an exception maybe ? Can you paste here the full stack trace in that case ?


Thanks,


Szilard