hey Frido - not sure if it is going to solve all of the problem but ListSingletonContainer is now part of IMP.container On Apr 16, 2010, at 12:36 AM, Friedrich Foerster wrote:
> dear all, > > i have been trying to run the example for the non-bonded list in IMP > (the official release 1.0) and sadly, it did not work: > > sendling 1026% /fs/pool/pool-foerster/apps/src/imp/branches/1.0/ > tools/imppy.sh > python test_imp.py > Traceback (most recent call last): > File "test_imp.py", line 10, in <module> > ps = > IMP.core.ListSingletonContainer(IMP.core.create_xyzr_particles(m, > 20, 1.0)) > AttributeError: 'module' object has no attribute > 'ListSingletonContainer' > > > > test_imp.py is the IMP example: > > import IMP > import IMP.core > import IMP.atom > > # This example addes a restraint on nonbonded interactions > # after excluding a set of bonded interactions. > > m= IMP.Model() > # The set of particles > ps = > IMP.core.ListSingletonContainer(IMP.core.create_xyzr_particles(m, > 20, 1.0)) > > # create a bond between two particles > bd0= IMP.atom.Bonded.setup_particle(ps.get_particle(0)) > bd1= IMP.atom.Bonded.setup_particle(ps.get_particle(1)) > IMP.atom.custom_bond(bd0, bd1, 2.0) > > # Set up the nonbonded list for all pairs at are touching > # and let things move 3 before updating the list > nbl= IMP.core.ClosePairContainer(ps, 0.0, 3.0) > nbl.add_pair_filter(IMP.atom.BondedPairFilter()) > > # Set up excluded volume > sdps= > IMP.core.SphereDistancePairScore(IMP.core.HarmonicLowerBound(0,1)) > evr= IMP.core.PairsRestraint(sdps, nbl) > m.add_restraint(evr) > > # Set up optimizer > o= IMP.core.ConjugateGradients() > o.set_model(m) > > o.optimize(1000) > > > > any suggestions? > > thanks > > > p.s.: IMP is compiled with build='fast'. > all 'required' packages (specified in the installation doc) are > installed: > * scons (0.98 or later) > * Boost (1.33 or later) > * A Subversion (svn) client to access the repository > > If you wish to build the Python interfaces, you will also need: > > * Python (2.3 or later) > * SWIG (1.3.40 or later) > > > > -- > Dr. Friedrich Foerster > Max-Planck Institut fuer Biochemie > Am Klopferspitz 18 > D-82152 Martinsried > > Tel: +49 89 8578 2632 > Fax: +49 89 8578 2641 > > www.biochem.mpg.de/foerster > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev