Dear Crystallographers, does anyone know of a program to compare multiple structures and identify which solvent molecules (water, ions, etc.) are conserved between the structures? I guess it would be nice also if it could identify when, for example, a Cl- in structure A was re-occupied by an HOH in B, or even some atom in a ligand being replaced by a water.
Jacob -- ******************************************* Jacob Pearson Keller Northwestern University Medical Scientist Training Program cel: 773.608.9185 email: [email protected] *******************************************
