This example shows how to use the MSConnectivityRestraint to ensure that all the particles that are part of complexes end up in a connected conformation following the optimization. It allows multiple copies of particles and takes an experimental tree as an input.
42 pa = r.add_type([ds[0], ds[1]])
43 pb = r.add_type([ds[2], ds[3]])
44 pc = r.add_type([ds[4]])
45 pd = r.add_type([ds[5]])
51 i1 = r.add_composite([pa, pa, pb, pb, pc])
52 i2 = r.add_composite([pa, pb, pb, pc], i1)
53 i3 = r.add_composite([pa, pa, pb, pb], i1)
54 i4 = r.add_composite([pa, pb], i1)
55 i5 = r.add_composite([pa, pb, pb], i2)
56 i6 = r.add_composite([pb, pc], i2)
57 i7 = r.add_composite([pa, pa, pb], i3)
58 i8 = r.add_composite([pa, pb], i5)