Thanks Daniel!Could you please provide a MD example too?DavideOn 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 Baà <" target="_blank">> wrote:
Do I need to create a new PairScore class to use a WLC score with, e.g. container::PairsRestraint?ÂI'm asking because the code works with existing PairScores, but they are mainly distance scores.DavideÂOn 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 Baà <" target="_blank">> 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 Baà <" target="_blank">> wrote:
There's something I don't understand: if I useÂIMP.container.create_restraint(), I get the attribute error "AttributeError: 'module' object has no attribute 'create_restraint'", which I wasn't expecting.DavideOn 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 Baà 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 Baà <> 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
https://salilab.org/mailman/listinfo/imp-dev
IMP-dev mailing list
https://salilab.org/mailman/listinfo/imp-dev
IMP-dev mailing list
" target="_blank">
https://salilab.org/mailman/listinfo/imp-dev
_______________________________________________
IMP-dev mailing list
" target="_blank">
https://salilab.org/mailman/listinfo/imp-dev
IMP-dev mailing list
" target="_blank">
https://salilab.org/mailman/listinfo/imp-dev
_______________________________________________
IMP-dev mailing list
" target="_blank">
https://salilab.org/mailman/listinfo/imp-dev
IMP-dev mailing list
" target="_blank">
https://salilab.org/mailman/listinfo/imp-dev
_______________________________________________
IMP-dev mailing list
" target="_blank">
https://salilab.org/mailman/listinfo/imp-dev
IMP-dev mailing list
" target="_blank">
https://salilab.org/mailman/listinfo/imp-dev
_______________________________________________
IMP-dev mailing list
">
https://salilab.org/mailman/listinfo/imp-dev