Subject: Babel

From: "Jeffrey J. Ayres" <[email-masked]>
Date: Tue, 29 Apr 1997 10:06:22 -0700

The Babel program seems very easy to use.  For instance
converting
molgen files to pdb files.  However it stumbles converting molgen or
mopac output files into C.A.C.A.O. files.  The commands
babel -imolgen butane.mol -ocaccrt butane.in
babel -imolgen butane.mol -ocaccrt butane.cor
babel -imolgen butane.mol -ocaccrt butane.bin
where each tried separately.  The last two files were inputted directly
into the CACAO program without doing an extended Huckel(eh).
The program issued the error message binary file corrupted, also the
error message does not recognize atom type 6.  The CACAO PC vers. 4.0
program is part of the MOAN package.  Is it perhaps a different version
of CACAO which Babel doesn't convert?  Since molgen does not depict
graphically the moloecular orbitals nor the Walsh diagrams I wish to use
the CACAO program.  Without a file converter I'm stuck, do you know of a
way to convert molgen files to the new version of MOAN CACAO, using
freeware?

                                                Thanks,
                                                        Jeff Ayres