Re: Individual Distance restraint weightings in dist geometry and anneal ?

Hello Debora--

> >
> > >  I am using distance restraints with both upper and lower bounds,
> > > starting from extended conformations of proteins ( 100-300 aas)
> > > and want to know 
> > >
> > > 1. Can we also WEIGHT the distance restraints INDIVIDUALLY  as
> > > well as set the bounds ? ( or can we 'only' do this in the anneal
> > > program) 
> > >
> >
> > This is done on the level of the script. You may have different NOE
> > objects (Python interface) or classes (old XPLOR interface) which have
> > different force constants. A force constant is not specified in the
> > restraint file.
> >
> 
>  I wonder if you could explain to me what you mean by "classes" ?
> in your reply to my question.  I * think* you mean that I cannot enter force
> constants for individual restraints in the 'anneal.inp' files but can
> somehow use different NOE objects to achieve this
> 

An example of using different force constants for different subsets of
NOEs using the old XPLOR interface can be found in this script:
eginput/rna_refi/rna_database_refine.inp
  (search for noe - there are two classes in this case)