question about file: cluster_info_silent

[admin]

Hi,

I wanted to cluster my results from Rosetta. When I run the program cluster_info_silent.out, I get an error:

function: rmsfit: maximum number of points exceeded; change max_points

I tried looking for max_points but I couldn’t find where I need to change the values. Do you know how to fix this error. I found that the error is actually in file: rms2.c

I think the following is one of the relevant section of the code in rms2.c:

/* this is just a wrapper for rms2() */
/* its purpose is to hide the temporary arrays for COM offsets from the user. */
/* unfortunately since were using fortran 77 and not fortran 90 we have to */
/* allocate these temp arrays as big as we will ever need them */
/* real*8 ww(max_points) */
/* stuff that gets used by rms_setup */
/* outputs */
/* Parameter adjustments */
yy -= 4;
xx -= 4;
/* Function Body */
if (*npoints > 5000) {
fprintf (stderr, “function: rmsfit: maximum number of points exceeded; change max_pointsn”);
exit (-2);
}
ret_val = rms2_(npoints, &xx4, &yy4, xx_0, yy_0, &det);
return ret_val;
} /* rmsfit_ */

Please let me know how to fix it.

Thank You

[admin]

what if just increases the hard-coded value of 5000 as well as
xx_015000 and yy_015000 in rms2.c? But I would suggest to
check his output as it looks like you are modeling a protein with more
than 5000 residues?

> Hi,
>
> I wanted to cluster my results from Rosetta. When I run the program cluster_info_silent.out, I get an error:
>
> function: rmsfit: maximum number of points exceeded; change max_points
>
> I tried looking for max_points but I couldn’t find where I need to change the values. Do you know how to fix this error. I found that the error is actually in file: rms2.c
>
> I think the following is one of the relevant section of the code in rms2.c:
>
> /* this is just a wrapper for rms2() */
> /* its purpose is to hide the temporary arrays for COM offsets from the user. */
> /* unfortunately since were using fortran 77 and not fortran 90 we have to */
> /* allocate these temp arrays as big as we will ever need them */
> /* real*8 ww(max_points) */
> /* stuff that gets used by rms_setup */
> /* outputs */
> /* Parameter adjustments */
> yy -= 4;
> xx -= 4;
> /* Function Body */
> if (*npoints > 5000) {
> fprintf (stderr, “function: rmsfit: maximum number of points exceeded; change max_pointsn”);
> exit (-2);
> }
> ret_val = rms2_(npoints, &xx4, &yy4, xx_0, yy_0, &det);
> return ret_val;
> } /* rmsfit_ */
>
> Please let me know how to fix it.
>
> Thank You

[admin]

you are right. the error is something else b.c there are only around 300 residues.

> what if just increases the hard-coded value of 5000 as well as
> xx_015000 and yy_015000 in rms2.c? But I would suggest to
> check his output as it looks like you are modeling a protein with more
> than 5000 residues?
>
>
>
> > Hi,
> >
> > I wanted to cluster my results from Rosetta. When I run the program cluster_info_silent.out, I get an error:
> >
> > function: rmsfit: maximum number of points exceeded; change max_points
> >
> > I tried looking for max_points but I couldn’t find where I need to change the values. Do you know how to fix this error. I found that the error is actually in file: rms2.c
> >
> > I think the following is one of the relevant section of the code in rms2.c:
> >
> > /* this is just a wrapper for rms2() */
> > /* its purpose is to hide the temporary arrays for COM offsets from the user. */
> > /* unfortunately since were using fortran 77 and not fortran 90 we have to */
> > /* allocate these temp arrays as big as we will ever need them */
> > /* real*8 ww(max_points) */
> > /* stuff that gets used by rms_setup */
> > /* outputs */
> > /* Parameter adjustments */
> > yy -= 4;
> > xx -= 4;
> > /* Function Body */
> > if (*npoints > 5000) {
> > fprintf (stderr, “function: rmsfit: maximum number of points exceeded; change max_pointsn”);
> > exit (-2);
> > }
> > ret_val = rms2_(npoints, &xx4, &yy4, xx_0, yy_0, &det);
> > return ret_val;
> > } /* rmsfit_ */
> >
> > Please let me know how to fix it.
> >
> > Thank You

[Anonymous]

Hi,

I have 1000 decoys for a 76 long protein.

I tried to cluster these decoys using cluster_info_silent code via the following command,
~/rosetta_scripts/cluster_tools/C/cluster_info_silent_out_new aaGVPA.out – cluster/aaGVPA 10,20,100 2,3

However, I am getting the same This error:

SUBCLUSTER subsetSize: 400 top-cluster sizes: 40 20 10
breakpoints: 0 19 32 59 75
LLLLLLLHHHHHHHHHHLLEEEEEEEEEEEELLEEEEEEEEEEELLHHHHHHHHHHHLLLLHHHHHHLLLLLLLL

---

3.4 7.7 0.0 0.0 0- 32 ( 33)
function: rmsfit: maximum number of points exceeded; change max_points

Any help is appreciated,
Thanks,
Hussein

[Anonymous]

I had the same error, but I got around it in rmsfit_ and fit_rmsfit_ by converting npoints into a simple non-pointer integer argument, i.e.

rms2.c
^double rmsfit_(npoints, xx, yy)

integer __npoints__;
double *xx, *yy;

. . .

if ( __npoints __ > 5000)

. . .

ret_val = rms2_( &npoints , &xx[4], &yy[4], xx_0__, yy_0__, &det);
return ret_val;
/* rmsfit_ */^

and

cluster_info_silent.c
^ . . .

r = (float) rmsfit_( __numPositions__ , coords[f1]+3*start, coords[f2]+3*start);

. . .
^

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