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
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Jacob Pearson Keller
Northwestern University
Medical Scientist Training Program
cel: 773.608.9185
email: [log in to unmask]
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