Ligand Editor workspace

Figure 4. The ligand editor workspace. The workspace panel features an easy-to-use toolbar for drawing or editing molecules. The toolbars for editing (1, 2, 3) and cleaning, pasting, and exporting (4) ligands or SMILES are shown by the highlighted numbers.

The user can draw a molecule of interest using the toolbars (1, 2, 3) or paste (Ctrl + v) the SMILES string. Upon pasting the SMILES string, MolBench automatically displays the 2D structure corresponding to the SMILES string.