Taking this smiles as input:
O[C@H]1[C@@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
I tried to generate some conformers using this line:
obabel input.smi -O conformers.sdf --gen3D --conformer --nconf 4
This gives me a file with only one 3D structure, which is actually the one
obtained from the
Taking this smiles as input:
O[C@H]1[C@@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1
I tried to generate some conformers using this line:
obabel input.smi -O conformers.sdf --gen3D --conformer --nconf 4
This gives me a file with only one 3D structure, which is actually the one
obtained from the