Print simple molecule information¶
A program that prints some simple molecule information for a database of molecules. This includes the title, molecular weight, number of atoms, number of heavy atoms, number of ring atoms, number of rotors and number of conformers.
Example¶
prompt> MolStats input.oeb.gz
Code¶
Download code
See also
- OEIsHeavy functor
- OEIsRotor functor
- OECalculateMolecularWeight function