Alexander, that sound right to me. You can't compare two totally different
sets of atoms, with different atom counts. That was an early flaw in the
design that was fixed. Generally you would, for example, pick just the
alpha carbons or just the backbone (includes O) or just the spine (C, CA,
and N). So the correct command would be:
compare {22-31} {7-16} SUBSET {*.CA}
ah, but I think there's a bug there. You have to do it in this order:
load =1crn;compare SUBSET {*.CA} {22-31} {7-16}
That's a bug.
On Tue, May 15, 2012 at 3:47 AM, Alexander Rose <[email protected]
> wrote:
> Hi,
>
> I have problems with the compare command and 12.3.10 seems to be the first
> time it occurs.
>
> load =1crn;
> compare {22-31} {7-16} rotate translate;
>
> works in 12.3.9 but just says "RMSD NaN --> NaN Angstroms" in 12.3.10 and
> later.
>
> Can someone confirm that.
>
>
> Best
> Alexander
>
>
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