object oriented programming?

Don & bashford at scripps.edu
Wed Aug 12 13:51:04 EST 1992


>>>>> In article <920811155024.cb7 at EVOL5.MBL.EDU>, THOMPSON at EVOL5.MBL.EDU writes:

Steve> Would you query the nets to see how they feel about object
Steve> oriented programming and its application to sequence analysis
Steve> and molecular modelling in the near future?

I have written an object oriented system in C++ for doing
electrostatic calculations on proteins and other molecules.  It is
called MEAD (Macroscopic Electrostatics with Atomic Detail).  Some
calculations using it are described in Bashford & Gerwert, J. Mol.
Biol. 224 473-486 (1992).

The source code and some data files are available by anonymous ftp
from ftp.scripps.edu in the compressed tar file,
   pub/electrostatics/MEAD-alpha-0.2.tar.Z
Beware of a bug in our ftp system such that "ls" does not work
but "dir" and "ls -l" do.

The current package contains data files enabling the user to reproduce
the main results of the above cited JMB paper as well as results
from an earlier lysozyme paper.  I consider this "alpha release" software
since it has been used mainly by me and my immediate collaborators.
I would be happy to have people in the wider world try it out and
let me know their bugs and critiques both from a user point of view
and an object designer/programmer point of view.

Donald Bashford
bashford at scripps.edu




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