script for prion_yjp
This code is used to predict likely conformations for a
given pair of beta sheet structure consisting of 6-residue peptides.
Specifically, this code is used for 1) nomination of
sidechain conformations, 2) combination of the conformers, 3) energy minimization
4)
classification of resultant structures,
5) selection of
representative conformers, and 6) the evaluation by MD
simulation.
Very sorry for inconvenience, we are still working on
manual-writing. Also, the scripts
requires installation of Gromacs and CCP4..