I am using "Protein_ligand.ipynb", but I am having problems with some ligands.
For example, I have Stearic Acid (CCCCCCCCCCCCCCCCCCCCCCCC(=O)O) as a ligand, set "Add_ligand_hydrogens: Yes" and when I run to the "Enumerate Stereoisomers to generate ligand topology:" cell, it is converted to the ligand as shown in the attached image.
Thank you for providing us with a great product.
I am using "Protein_ligand.ipynb", but I am having problems with some ligands. For example, I have Stearic Acid (CCCCCCCCCCCCCCCCCCCCCCCC(=O)O) as a ligand, set "Add_ligand_hydrogens: Yes" and when I run to the "Enumerate Stereoisomers to generate ligand topology:" cell, it is converted to the ligand as shown in the attached image.
Is there any way to resolve this issue?