Hi,
I am trying to convert the following SMILES string (to xyz
coordinates (with explicit hydrogens).
[S@]1(C)[Au][S@]([Au][S@](C)[Au][S@]([Au]1)C)C
I get the xyz coordinates, but I also get a warning message:
WARNING: too small "scale" at Newton2NumLineSearch
I need to grow the four alkyl chains of the structure. When I submit the
SMILES structure for the same structure, but with ethyls instead of
methyls, this same warning message is seemingly, endlessly repeated I
eventually need to have four decyl chains emanating from the ring
structure. How can I fix/avoid this warning-message problem?
Thanks,
Matthew
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