how to fix bad conformer id?

[sohithpydev]

i ran this command - easydock -i trial_20.smi -o trial_output.db
--program qvina
--config config.yml
--sdf

the result looks like -

[2026-04-30 18:29:07] WARNING: (PID:4183974) O=C1[C@@h]2[C@@h]3[C@@h]4[C@H]5[C@H]6C@H[C@@h]1[C@@h]3CC[C@@h]6[C@@h]3C@H[C@@h]4[C@H]62_0 caused an error during structure preparation for docking and will be skipped
Traceback (most recent call last):
File "/work/scs03596/miniconda3/envs/easydock/lib/python3.11/site-packages/easydock/preparation_for_docking.py", line 334, in ligand_preparation
mol = mol_embedding_3d(mol, ring_sample=ring_sample, seed=seed)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/work/scs03596/miniconda3/envs/easydock/lib/python3.11/site-packages/easydock/preparation_for_docking.py", line 303, in mol_embedding_3d
mol, conf_stat = gen_conf(mol, useRandomCoords=False, randomSeed=seed, has_saturated_ring=has_saturated_ring)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/work/scs03596/miniconda3/envs/easydock/lib/python3.11/site-packages/easydock/preparation_for_docking.py", line 204, in gen_conf
AllChem.UFFOptimizeMolecule(mole, maxIters=100)
ValueError: Bad Conformer Id

it is happening for 20/20 smiles i had.

[Feriolet]

Hi! Is it possible to give us the smiles file that you are working on? It is possible that the SMILES used cause the issue