Scripts: match.py

File match.py, 540 bytes (added by pett, 17 years ago)
Line 
1from MatchMaker import match, CP_SPECIFIC_SPECIFIC, GAP_OPEN, GAP_EXTEND, \
2 defaults, MATRIX, ITER_CUTOFF
3
4from chimera import openModels, Molecule
5
6s1, s2 = openModels.list(modelTypes=[Molecule])
7c1, c2 = s1.sequence('A'), s2.sequence('A')
8
9atoms1, atoms2, rmsd = match(CP_SPECIFIC_SPECIFIC, [(c1, c2)], defaults[MATRIX],
10 "nw", defaults[GAP_OPEN], defaults[GAP_EXTEND],
11 iterate=defaults[ITER_CUTOFF])[0]
12print "RMSD:", rmsd
13for a1, a2 in zip(atoms1, atoms2):
14 print a1.residue, a2.residue, a1.xformCoord().distance(a2.xformCoord())