On Jan 8, 2009, at 8:04 AM, Keren Lasker wrote:
> any thoughts on dealing with the derivatives at x=std? Just setting it to 0 should do for 1 as it is 0 infinitely close to std and we are doing floating point arithmetic. Or am I confused?
> > > On Thu, 8 Jan 2009, Friedrich Foerster wrote: > >> hi all, >> >> when dealing with experimental restraints i often feel that >> harmonic restraints are somewhat unsatisfactory: >> experimental data can be wrong and thus there is not necessarily a >> solution that fulfills all restraints (score=0). in those cases, a >> model with a lower score is not necessarily any more correct than a >> higher scoring one. thus, i think it'd be good to have an >> additional scoring function that levels off if the feature exceeds >> a certain value. for example, i'd suggest the following two >> functions alternatively to Harmonic: >> 1. a function that is a Harmonic for x<std and constant for x>std >> 2. a function that is a Harmonic for x<std and asymptotically >> approaches a constant value for x-> inf: >> e.g.: f=x^2 for x<1 and f=2-x^-2 for x>1 (would even be >> continuous in 1st derivative) >> >> is anyone else also interested in something like that? >> any better suggestions? >> is any IMP core expert interested and willing to code that >> (including analogous functions for Upper and Lower Harmonic)? >> probably i'd be one of the slowest and clumsiest persons in doing >> that... >> >> thanks >> >> frido >> >> >> -- >> >> Friedrich Foerster >> Max-Planck Institut fuer Biochemie >> Am Klopferspitz 18 >> D-82152 Martinsried >> >> Tel: +49 89 8578 2651 >> Fax: +49 89 8578 2641 >> >> foerster@biochem.mpg.de >> >> www.tomotronic.org >> >> >> >> >> >> >> _______________________________________________ >> 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