In bionet.molec-model, Ben Davis <bjd12 at cus.cam.ac.uk> wrote
::Anyone got any advice on predicting pKa's using DelPhi (the plug on module
:for Insight II) ? I can get it to give me potentials, but that's it ...
::(or, if anyone happens to know an alternative programme to do this, could
:you let me know ...)
Can't help you with DelPhi, but there is a package written by Bashford
available via anonymous ftp. Look at Bashford, D., & Gerwert, K. (1992)
J. Mol. Bio. vol. 224 p473 for the ftp & program info, Bashford et al.
(1993) Biochemistry vol 32 p8045 for application.
Wayne Baker (baker at iastate.edu) "37!?"
4288 Molecular Biology Building --Randall( Jeff Anderson )
Iowa State University "Clerks"
Ames IA 50011
(515) 294 0781
