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 Bał <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 Bał <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.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 Bał 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 Bał <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
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