Thanks Daniel!
Could you please provide a MD example too?
Davide
On Nov 7, 2013, at 6:31 PM, Daniel Russel wrote: > Yes, you make a pair score from WLC (using either SphereDistancePairScore or DistancePairScore) and then create a restraint. The first part you would have to do with the create_restraint function anyway. Although it might be cool to add a create_distance_restraint function. But we don't have such a thing. > > > On Thu, Nov 7, 2013 at 8:51 AM, Davide Baù davide.bau@gmail.com wrote: > Do I need to create a new PairScore class to use a WLC score with, e.g. container::PairsRestraint? > I'm asking because the code works with existing PairScores, but they are mainly distance scores. > > Davide > > > > > > On Nov 7, 2013, at 5:21 PM, Daniel Russel wrote: > >> Just to add, for now just create a core::PairRestraint or containerPairsRestraint. The functionality is identical to what create_restraint would do in python (in C++ create_restraint can do cooler things with compile time binding). >> >> >> On Thu, Nov 7, 2013 at 6:09 AM, Davide Baù davide.bau@gmail.com wrote: >> That would help, thanks! >> >> >> On Nov 6, 2013, at 7:08 PM, Daniel Russel wrote: >> >>> Sorry, the function is C++-only (as it is a template function). I could add a python version (at least should fix the docs). >>> >>> >>> On Wed, Nov 6, 2013 at 9:50 AM, Davide Baù davide.bau@gmail.com wrote: >>> There's something I don't understand: if I use IMP.container.create_restraint(), I get the attribute error "AttributeError: 'module' object has no attribute 'create_restraint'", which I wasn't expecting. >>> >>> Davide >>> >>> >>> >>> >>> On Nov 4, 2013, at 6:42 PM, Daniel Russel wrote: >>> >>>> It is used like any other pair score. core:: create_restraint and container::create_restraint or core::PairRrestraint/container::PairsRestraint can be used to bind it to particle pairs to make a Restraint. The container::ConsecutivePairContainer is probably useful for generating a particle pairs list. >>>> >>>> On Monday, November 4, 2013, Davide Baù wrote: >>>> Thanks Daniel! >>>> >>>>> The WLC class hasn't been used in forever as far as I know, but worked fine last I looked at it. >>>> >>>> Any possibility of having a example of how to use the WLC? I looked around but did not find any. >>>> >>>> Thanks, >>>> Davide >>>> >>>> >>>> >>>>> >>>>> >>>>> On Wed, Oct 30, 2013 at 7:19 AM, Davide Baù davide.bau@gmail.com wrote: >>>>> Hi, >>>>> >>>>> I would like to start using the MD and WormLikeChain functions in IMP, but I don't know what their current state is. >>>>> Are they safe to use? >>>>> >>>>> Thanks, >>>>> Davide >>>>> _______________________________________________ >>>>> 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 >>>> >>>> _______________________________________________ >>>> 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 >>> >>> >>> _______________________________________________ >>> 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 >> >> >> _______________________________________________ >> 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 > > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev