Why eHiTS says: “cannot convert” for some of my peptide ligands in PDB file format?
This happens only with input ligands in PDB files, because we do not yet handle properly some of the end-residues (N-terminal portions of the peptide ligands) for peptides in PDB file format. Problems can be circumvented by use of the peptide input ligand in MOL2 file format (e.g. by converting from PDB to MOL2 format using OpenBabel).