Maciek hit send before I did :-)
a = pybel.readstring("smi", "CC")
b = pybel.readstring("smi", "CCO")
a.OBMol += b.OBMol
print a.write("smi")
...gives...
CC.CCO
On 25 October 2013 10:11, Zhengyh <swanboi...@gmail.com> wrote:
> Hello,
>
> Thank you all who are helping me with this openbabel.
> We use --join to join all input molecules into a single output
> moleculeentry.
> But which is the right function to do this in the pybel or openbable API?
> I just can't find it...
>
> Regards!
>
>
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Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from
the latest Intel processors and coprocessors. See abstracts and register >
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