Improved Metal Binding Upon Amino Acid Change

Question

[Alper Yilmaz]

Hi, I am trying to screen amino acid changes in a given protein and calculate if ligand binding has improved or not. I was searching for software for this purpose. In another post, it was suggested to use Modeller, Chimera or scwrl4. As far as I understand, these homolgy modeling software are able to predict protein structure for a given amino acid change. My first question is, which one of these are more suitable for my purpose (screening single aa changes)? My second question is that, before starting to test and learn these softwares, I was wondering, if any of these softwares are able to calculate ligand binding ( and compare ligand bindging of different structures)?

Thanks.