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OOMPAA—Object-Oriented Model for Probing Assemblages of Atoms

✍ Scribed by Gary A Huber; J.Andrew McCammon

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
195 KB
Volume
151
Category
Article
ISSN
0021-9991

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✦ Synopsis

An object-oriented library is presented for building molecular-modeling software. This library allows the user to treat individual components of molecules as C++ objects, and provides various templated lists and vector classes for manipulating these objects. Other utilities, such as minimizers and integrators, are continually being added to the body of code. Performance is a key consideration; the performance of simple benchmarks is comparable to that of hand-coded Fortran.

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