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I don't know if this is completely true, since electrostatic interactions are long-range, and the field lines extend significantly beyond the surface of the protein and there can be unanticipated regions of concentrated charge density as a result. On the other hand, I suppose that any visualization of this sort of thing is a compromise anyway, so what you suggest is probably more than reasonable. Please correct if I am wrong.... All the best, Steve >I am a big fan of coloring the molecular surfaces using the >electrostatic potential one water radius above the surface (set >surface_ramp_above_mode), since that is the potential a probe atom in >contact with the surface would actually be subject to. > >Cheers, >Warren ------------------------------------------------------------------------------ Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station, New Jersey, USA 08889), and/or its affiliates (which may be known outside the United States as Merck Frosst, Merck Sharp & Dohme or MSD and in Japan, as Banyu - direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system. ------------------------------------------------------------------------------
