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dear all,
is there any way to deactivate individual restraints?
thanks
pia & frido
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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
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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 > >
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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
participants (4)
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Daniel Russel
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Friedrich Foerster
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Keren Lasker
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Pia Unverdorben