CPD12 Computational Protein Design problem in MiniZinc. D Allouche, S Traore, I Andre, S de Givry, G Katsirelos, S Barbe, and T Schiex Computational protein design as a cost function network optimization problem In Proc. of CP-12, Quebec City, Canada, 2012 http://genoweb.toulouse.inra.fr/~tschiex/CPD/CP2012-rebuilt/ From an optimization perspective, the energy of a given protein, defined by a choice of one specific amino acid with an associated conformation (rotamer) for each residue can be computed as a sum of local terms representing interactions between at most two amino acid residues. The energy can then be written as: E = E_{c} + \sum_i E(i_r) +\sum_i \sum_{j>i} E(i_r,j_s) where E_{c} is a constant energy contribution capturing interactions between fixed parts of the model, E(i_r) is the self energy of rotamer r at position i capturing internal interactions or with fixed regions, and E(i_r,j_s) the pairwise interaction energy between rotamer r at position i and rotamer s at position j. All terms are measured in kcal/mol and can be pre-computed and stored. The CPD12 folder contains only the 10 instances solved in (Allouche et al, CP 2012). All energy terms have been rounded to the nearest integer value after being multiplied by 100 (instead of 10**8 as in the CP 2012 paper) The energy terms in minizinc data files are directly rounded to the nearest integer value (without being multiplied) to avoid any integer overflows.