Re: [ccp4bb] calculation of shape complementarity of different protein-ligand complexes

VROCS, www.eyesopen.com Jürgen On Aug 7, 2013, at 9:03 AM, Tobias Beck wrote: Dear CCP4bb, I would like to calculate the shape complementarity of several protein-ligand complexes (crystal structures with ligand available). This involves a set of different proteins and

[ccp4bb] calculation of shape complementarity of different protein-ligand complexes

Dear CCP4bb, I would like to calculate the shape complementarity of several protein-ligand complexes (crystal structures with ligand available). This involves a set of different proteins and also different ligands. The ligands are similar in size, but not in chemical composition. I have looked in