Re: [modeller_usage] max number of optima in resdih.lib

[Modeller Caretaker <>]

Luis Gracia wrote:
> Hi! I need to modify the rotamer definitions in resdih.lib, but I get
> the following error when adding 4 entries to a residue.
>
> _modeller.error: rdrdih__223E> Internal error: array too small:  MDIHOPT
> current maximum, current need:        4        4
>
> This is the line that creates the error:
>
> CA    CB    CG    OD1    4  0.516 0.194 0.161 0.129    -11.9  69.4
> -67.6  154.8     12.5  11.1  23.3  25.7    -180 -90   -90 0   0 90   90 180
>
> using only 3 optima values doesn't give any error. Is there a limit in
> the maximum number of optima? This info is part of the output but I
> don't know if its a limit or the number found:
> Maximal number of dihedral angle optima:        3

Yes - unfortunately there is a hard-coded limit of 3 optima. This will 
be removed in the next release of Modeller, but for the time being, you 
are restricted to 3.

	Ben Webb, Modeller Caretaker
--
             http://www.salilab.org/modeller/
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