Hello,
I am trying to set up the new OBConformerSearch for a small peptide.
I was wondering if there is a way to set up constraints that can be used when
OBConformerSearch generates candidate solutions for the GA. Specifically, I
would like to set up 3 pairs of dihedrals that I know to be symmetric from
experimental data & distance between two non-bonded atoms to be a X angstroms.
Thanks in advance for any suggestions.
Best,
Prashanth
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