Hello,
I am trying to generate conformations out of smiles strings. Followed your
example using the ConformerSearch class but it appears as though I cannot
write the multiple conformers in a single sdf file. The only information
written when attempt to write the OBMOL object is the initial molecule. I
would like to know if there is a specific way to do this. In your pdf
documentation at some point you mention a parameter --writeconformers but
can't find a corresponding example of how that may be implemented. I want
to use the conformers in docking experiments and it is important that I get
this information somehow.
Look forward to receiving your advice.
Kind Regards,
Ioanna Kalvari
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