Figure 1
Cross sections of dummy atom models of DAMMIN (left) and DAMMIF (right). The top row shows initial models (randomized and proto-particle) and the bottom row the final models by the two programs. The different colours indicate particle (red) and solvent (turquoise, blue and green) states of the dummy atoms. In DAMMIF, only red and turquoise beads are subject to phase changes; DAMMIN generally allows phase transitions anywhere in the search volume. Green solvent beads indicate the current, extensible, border of DAMMIF's mapped area (all visible beads). |