Hi Openbabel users,
I have a following warnings while trying to convert a set pdbs to sdf or
smi. Can someone give an insight on it?
obabel pdb/*.pdb -O test.sdf
==============================
*** Open Babel Warning in parseAtomRecord
WARNING: Problems reading a PDB file
Problems reading a HETATM or ATOM record.
According to the PDB specification,
columns 77-78 should contain the element symbol of an atom.
but OpenBabel found ' ' (atom 1)
.
.
.
.
same error 32 times with (atom 1) to (atom 32). I was converting a total of
~8000 pdbs.
I don't have columns 77-78 in my pdbs.
Thanks,
Sundr
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