[Ifeffit] max number of restraints

[Bruce Ravel]

On Tuesday 10 April 2007 18:07, Victor.Streltsov at csiro.au wrote:
> Hi,
>
> I wonder if there is a way to change a max number of restraints in
> Artemis or Ifeffit. If you have more than 10 restraints in Artemis
> (which is possible to input in Artemis without a warning), the Ifeffit
> gives the following message in "ifeffit interaction buffer":
> *** feffit:: too many restraints
> restraint will be ignored:
>
> and ignores all restraints after the 10th in the Artemis list.
>
> Often, you need more than 10 restraints when fitting data for biological
> samples (e.g. bond length restraints etc.)

The number of restraints is a compiled-in limit in Ifeffit.  The only
way I can suggest to increase the number is by setting the parameter
"max_restraint" to something larger in src/lib/consts.h in the ifeffit
source code and then recompile Ifeffit.  

That's not very difficult on a linux machine and will require
rebuilding my codes afterwards to compile the ifeffit wrapper against
the new ifeffit library.  

B

P.S. If you know how to compile the codes on a Windows machine, please
contact me off the mailing list.  I have a question about compilers
for Windows. 

-- 
 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

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