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Old Huckel files (Read 2137 times)
Gerrit-Jan Linker
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Old Huckel files
26.05.08 at 09:22:24
Old Huckel files
If you have created files with an old version of the Huckel software the following message may appear when reading the files in:
Old Huckel calculator file. All atoms are assumed to be carbon atoms.
Sometimes after reading the files in it still does not display correctly.
The check whether it is an old style file it only inspects the first line of the file. If the line is anything else than the following text a conversion is attempted.
"Hückel calculator 3.0 file"
In case of problems you can put this text as the first line of the file and no conversion will be attempted.
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Gerrit-Jan Linker
Linker IT Software
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