Hi Illimar,
that's because the StandardPDBDoubleBond() function in
ProximityBonds.cpp only takes into account standard amino acids, but not
nucleotides. I'll submit a PR later tonight to include standard DNA and
RNA bases.
Cheers,
p.
On 04/12/2019 08:28, Illimar Hugo Rekand wrote:
Hello, everyone
I was wondering if there is any reason for why aromaticity and perceived bond
orders are not set properly when using the MolFromPDB-function for RNA PDB
files, while it works perfectly for protein PDB files?
Illimar Rekand
Ph.D. candidate,
Brenk-lab, Haug-lab
Department of Biomedicine
Department of Chemistry
University of Bergen
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