Hi

Can we calcule isoelectric point using structure, I mean just taking into account the residues exposed to surface/solvent accessible. Firstly is such a thing possible rather than just a sequence dependent pI. I tried some googling but in vain and so it will be really nice if someone has already done that and share the ready made script for this purpose. This query may be treated as a request for incorporation of this feature in PyMOL if it is not available yet.

Thanks in advance.     

Best wishes
Priyadarshan