[IMP-dev] maximum diameter restraints

hi impians,

for the 26s project i would like to use a maximum diameter restraint on the shape of proteins. so it'd be a restraint similar to the connectivity restraint: all distances in a protein are evaluated and if the largest distance is above a specified threshold, a harmonic restraint would be applied on the respective pair. did anybody already put something like that into imp? and if no, is anybody familiar with the core also interested in that and willing to code it? it'd take me ages and the code would be ugly ;)

thanks

frido

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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