When you define a restraint, you choose the type of the restraint (like
distance, angle etc) and the functional form how to restrain it. E.g. If the
functional form defines only an upper boundary, you have a constraint.
For the various implemented functional forms check table 2.2. on p 74 in the
manual.
a gaussian or an upper boundary gaussian (functional form 3 and 2) would be the
answer for you. If you define a very small sigma for the G. function, you can
imitate a hard limit, if it is desired. For options check MAKE_RESTRAINTS
routine (therein: restraint_parameters).
Andras
Giulio Rastelli wrote:
>
> Dear modellers,
>
> is it possible with Modeller4 to define constraints instead of restraints?
> I would like to constraint a set of conserved residues to be exactly in the
> same position as those of the template structure, and was looking for a way
> to do
> this without setting explicit distance, angle and torsion restraints.
>
> Thank yuo very much,
>
> Giulio Rastelli
> Dipartimento di Scienze farmaceutiche
> Universita di Modena , Italy
--
,
Andras Fiser, PhD # phone: (212) 327 7216
The Rockefeller University # fax: (212) 327 7540
Box 270, 1230 York Avenue # e-mail:
New York, NY 10021-6399, USA # http://salilab.org/~andras