Dear all I have a small molecule named ANULENE (File attached in the cif format). I am trying to generate the molreport which gives the information about the atom type of the molecule with other many informations.
ANULENE is an aromatic molecule. To my surprise OpenBabel is giving C2 atom type to every carbon atom. Molecule is ~planar. Please help me out in rectifying the problem (if there is any). I am using command babel -i cif ANULEN01.cif -o molreport ANULEN01.mol thanx in advance PRASUN (ASHOKA) Desire + stability = Resolution Resolution + Hard work = Success
ANULEN01.cif
Description: Binary data
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