when i try to run the cod on collab here it cames
AttributeError Traceback (most recent call last)
in ()
1 pipeline = vs(n_cpu=8)
2 # Load ligands from a mol2 file
----> 3 pipeline.load_ligands('mol2', '/content/oddt/jcheminf/ampc/actives_final.mol2.gz')
4 # Filter ligands by weight and solubility
5 pipeline.apply_filter('150 < mol.molwt < 350')
/content/oddt/oddt/virtualscreening.py in load_ligands(self, fmt, ligands_file, **kwargs)
104
105 """
--> 106 if fmt == 'mol2' and oddt.toolkit.backend == 'ob':
107 if 'opt' in kwargs:
108 kwargs['opt']['c'] = None
AttributeError: 'NoneType' object has no attribute 'backe
when i try to run the cod on collab here it cames
AttributeError Traceback (most recent call last)
in ()
1 pipeline = vs(n_cpu=8)
2 # Load ligands from a mol2 file
----> 3 pipeline.load_ligands('mol2', '/content/oddt/jcheminf/ampc/actives_final.mol2.gz')
4 # Filter ligands by weight and solubility
5 pipeline.apply_filter('150 < mol.molwt < 350')
/content/oddt/oddt/virtualscreening.py in load_ligands(self, fmt, ligands_file, **kwargs)
104
105 """
--> 106 if fmt == 'mol2' and oddt.toolkit.backend == 'ob':
107 if 'opt' in kwargs:
108 kwargs['opt']['c'] = None
AttributeError: 'NoneType' object has no attribute 'backe