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)
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
thanks. it seems like my browser cached an older version of the example or something. the example i now have on my browser seems to be ok.
cheers
frido
On Fri, Apr 16, 2010 at 9:40 AM, Keren Lasker kerenl@salilab.org wrote: > 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 > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev > >
participants (2)
-
Friedrich Foerster
-
Keren Lasker