Dear Sirs, Greetings from Thanjavur! User Name: A. Thiruvalluvar User e-mail: ath...@dataone.in
Open Babel version 2.3.2 working under Windows 7 Professional Service Pack 1, 32-bit Operating System. I am using MOPAC2012 version 13.286W. The output created by MOPAC2012 is BH2413cifpm7.out, please see the attachment. I convert the above file using Open Babel version 2.3.2 as follows: INPUT FORMAT out – Generic Output file format BH2413cifpm7.out OUTPUT FORMAT mol – MDL MOL format BH2413cifpm7.mol The output BH2413cifpm7.mol file consists of the initial input Cartesian coordinates present in the input BH2413cifpm7.out file. In-fact, I must get the final Cartesian coordinates present in the input BH2413cifpm7.out file. Why the Open Babel does not bring the final Cartesian coordinates? It brings only the initial Cartesian coordinates. Please check this and help me. With best wishes, Yours Sincerely, Dr. A. Thiruvalluvar. ****************
BH2413cifpm7.out
Description: Binary data
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