Reply To: Bug in Loop Modeling

[Anonymous]

> Hi,
>
> I found a bug in the loop modeling protocol when using -refine_kic (Rosetta 3.1).
> When the loop contains Gly and this residue is chosen as cutpoint, the program exits stating sth like “Atom CB not found in residue GLY”.
>
> The reason for this is that in the function “filter_loop_neighbors_by_distance” in src/protocols/loops/loops_main.cc the two lines
>
> if ( pose.residue( i ).name() == “GLY” ) and
>
> if ( pose.residue( j ).name() == “GLY” )
>
> don’t apply to Gly when Glycine is a cutpoint residue (it’s then called “GLY_p:……”)
>
> If one replaces these two lines by
>
> if ( pose.residue( i ).name().substr(0,3) == “GLY” ) and
>
> if ( pose.residue( j ).name().substr(0,3) == “GLY” )
>
> it works.
>
> Cheers,
>
> Daniel
>