Hi,
It seems that Structure.getstate does not include bond order in its output dictionary, as seen here:
https://github.com/ParmEd/ParmEd/blob/master/parmed/structure.py#L3836
As a result, bond order information is lost during serialization and deserialization. Could you please consider implementing a fix for this issue?
Thank you!
Hi,
It seems that Structure.getstate does not include bond order in its output dictionary, as seen here:
https://github.com/ParmEd/ParmEd/blob/master/parmed/structure.py#L3836
As a result, bond order information is lost during serialization and deserialization. Could you please consider implementing a fix for this issue?
Thank you!