hi all,
i noticed that the connectivity restraint must have changed at some point: i want to impose a restraint on two proteins, each consisting of several particles. thus, i am interested in restraining the closest pair between the two proteins. whereas the following code did what i need previously it now calculates all against all distances (including intra-protein distances) - which is not what i want. i'd be grateful if anyone could tell me how i need to change my pseudo code:
prot1 = [part1,part2,part3] prot2 = [part4,part5,part6] ufu = IMP.core.TruncatedHarmonicUpperBound( span, k, stddev, 2.) pairsc = IMP.core.SphereDistancePairScore(ufu, IRAD_KEY) connrest = IMP.core.ConnectivityRestraint(pairsc) for pps in [prot1,prot2]: connrest.add_particles(pps)
to be explicit: the code now restrains distances in prot1 and prot2, which is what i do not want. i only want the inter-protein distances to be considered...
thanks
frido
--
Dr. Friedrich Foerster Max-Planck Institut fuer Biochemie Am Klopferspitz 18 D-82152 Martinsried
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