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Macroscopic Electrostatics with Atomic Detail

MEAD is a set of software objects for the purpose of modeling the electrostatics of molecules using a semi-macroscopic picture in which the solvent and the molecular interior have different dielectric constants, the boundary between the different dielectric regions is dependent on the detailed atomic structure of the molecule, and the electrostatic potential is determined by the Poisson-Boltzmann equation. This version of MEAD includes modeling of a membrane as a low dielectric slab, possibly with a water-filled channel through a protein in the membrane.

MEAD is written in C++, which is a significant departure from most molecular software, which is more commonly written in Fortran or (recently) C.  My purpose in choosing C++ was to explore the object-oriented programming style that C++ facilitates and to make a software system that other people could borrow pieces from and make extensions to in a convenient way.

Source Files

Filename Size Changed Actions
1-destdir.patch 1.78 KB Download File
2-c-warn.patch 1.03 KB Download File
3-prototype.patch 706 Bytes Download File
mead-2.2.9.tar.bz2 634 KB Download File
mead.spec 2.58 KB Download File

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