Proteins & Datastructures

Jeffrey Taylor jeff at
Sun Feb 16 13:52:27 EST 1997

I don't know of any protein specific programming books but I can tell you a few
things to get you started.  There are two basic ways that proteins structure
data can be represented.  One way is simply a list (array) of XYZ cartesian
coordinates representing the atom postitions.  A second method often used is
a system of "internal" coordinates.  In this case an array of bond lengths,
angles and torsions can describe a protein structure.  Most programs that use
internal coordinates also use cartesian coordinates and can easily convert
between the two.

I hope this helps a little.  You should search out all the code you can find
(and there is a lot) that deals with proteins and see what others have done.

Happy coding.

Jeff Taylor

Jeffrey S. Taylor			        Molecular Modeling	
The Wistar Institute and			Software development
The University of Pennsylvania			Molecular Biology
Philadelphia, PA 19104          E-Mail    Jeff at	
(215) 898-2202			WWW

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