Abstract: We describe a computer program that uses mutually orthogonal Latin
squares (MOLS) to perform an efficient and exhaustive conformational search of
the multi-dimensional potential energy hypersurface of an oligopeptide, and
locate all its low energy conformations. The software package has been
developed with a user-friendly graphical interface using the Fast Light Tool
Kit (FLTK) – a cross platform C++ toolkit.
Keywords: Peptide structure prediction, mutually orthogonal Latin squares (MOLS), low energy conformations, potential energy hypersurface