On Mon, Dec 2, 2013 at 5:41 AM, Otto Kohulák <pra...@gmail.com> wrote:
>
> babel -i pwscf pw.out -o xyz out.xyz
>
> the result is always:
>
> 0 molecules converted
> 2 audit log messages
>
Can you convert from or to other formats? For example, can you do this?
echo "CCO" | obabel -i smi -o sdf
By the way, the "babel" program is old. You should read about the newer
"obabel" program, which is very similar but handles command-line arguments
better. Try "obabel -H".
Craig
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