Hi All,
It seems to me that there is a restriction on the number of atoms (~1000) OB
can handle when using mol2 file format. I know this is also true for SMILES and
InChI however this doesn't make much sense for mol2.
I currently do mutations/atom manipulations with large proteins with
non-standard residues, so its a requirement that I load molecules with formally
defined bonding. Loading with PDB leads to incorrect bonding when I attempt to
dump out after modifications.
Can anyone offer any solutions?
Nick
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