Scripts: atomdist.py

# Find minimumum distance between two sets of atoms.
def min_distance(spec1, spec2):
    from chimera.selection import OSLSelection
    s1 = OSLSelection(spec1)
    s2 = OSLSelection(spec2)
    dist = []
    for a1 in s1.atoms():
        for a2 in s2.atoms():
            d = a1.xformCoord().distance(a2.xformCoord())
            dist.append((d, a1, a2))
    dmin, a1, a2 = min(dist)
    return dmin, a1, a2

d, a1, a2 = min_distance('#0:16.B@CA', '#0:.A')
print 'Minimum distances', d, 'between', a1.oslIdent(), 'and', a2.oslIdent()