I'm finding that OBabel 3.1.1 seems to be unable to handle some CIF files that have been generated by ACEDRG ( https://www2.mrc-lmb.cam.ac.uk/groups/murshudov/content/acedrg/acedrg.html). One such file is attached. When running this code no errors are thrown but the molecule seems to empty (molwt is zero). Can anyone tell if this is a problem with OBabel or with the CIF files that have been generated?
from openbabel import openbabel as ob
obconversion = ob.OBConversion()
obconversion.SetInFormat("cif")
obmol = ob.OBMol()
obconversion.ReadFile(obmol,"Mpro-J0030.cif")
print(obmol.GetMolWt())
Thanks
Tim
Mpro-J0030.cif
Description: Binary data
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