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?
You shouldn't be perceiving bond orders from PDB files - the chemistry is
already specified in the CCD:
http://www.wwpdb.org/data/ccd
Here's a useful library
https://gitlab.ebi.ac.uk/pdbe/ccdutils
Paul.
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