dear all,
is there any way to deactivate individual restraints?
thanks
pia & frido
pia - you can remove the restraint from the model (still keep it in memory) and add back to the model when needed. On Feb 4, 2011, at 2:23 AM, Pia Unverdorben wrote:
> dear all, > > is there any way to deactivate individual restraints? > > thanks > > pia & frido > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev
thanks. but is there any less awkward way of doing it. for example, it'd be nice to change weights (or spring constants) during optimization for individual restraints as possible for restraint_sets. for example, is there a way of casting a restraint as a Harmonic restraint or whatever it is generated?
thanks
frido
On Fri, Feb 4, 2011 at 11:28 AM, Keren Lasker kerenl@salilab.org wrote: > pia - you can remove the restraint from the model (still keep it in memory) and add back to the model when needed. > On Feb 4, 2011, at 2:23 AM, Pia Unverdorben wrote: > >> dear all, >> >> is there any way to deactivate individual restraints? >> >> thanks >> >> pia & frido >> _______________________________________________ >> 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 > >
On Feb 4, 2011, at 12:23 PM, Friedrich Foerster wrote:
> thanks. > but is there any less awkward way of doing it. for example, it'd be > nice to change weights (or spring constants) during optimization for > individual restraints as possible for restraint_sets. Currently you can't change weights of individual particles. But it is now pretty easy to add that ability due to some changes I made in the Restraint architecture. I'll look into doing that.
> for example, is > there a way of casting a restraint as a Harmonic restraint or whatever > it is generated? You can attempt to cast between IMP.Objects with eg pr= IMP.core.PairRestraint.get_from(a_restraint) Due to a bug you can't currently do this to get an IMP.core.Harmonic (I'll check in a fix for that in the next few minutes).
> > thanks > > frido > > On Fri, Feb 4, 2011 at 11:28 AM, Keren Lasker kerenl@salilab.org wrote: >> pia - you can remove the restraint from the model (still keep it in memory) and add back to the model when needed. >> On Feb 4, 2011, at 2:23 AM, Pia Unverdorben wrote: >> >>> dear all, >>> >>> is there any way to deactivate individual restraints? >>> >>> thanks >>> >>> pia & frido >>> _______________________________________________ >>> 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 >> >> > > > > -- > 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
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Daniel Russel -
Friedrich Foerster -
Keren Lasker -
Pia Unverdorben