--- branches/aglappe-jung/proteinstructure/aapairsBounds.dat 2007/11/22 14:09:18 419 +++ trunk/src/owl/core/structure/aapairsBounds.dat 2010/04/01 08:41:01 1012 @@ -1,3 +1,9 @@ +# Amino acid pair bounds: +# These bounds for pairs of amino acids are used to define constraints +# for distance geometry calculations on residue contact maps. They were determined +# from contacts in native PDB files. +# lines starting with '#' are comments +# This file is read by owl.core.structure.AAinfo and reqired by classes in owl.core.structure.graphs ALA_ALA 3.3 0 ALA_ARG 2.94 5.16 ALA_ASN 3.12 2.27