measureAllModels was designed to allow the same measurement WITHIN a model
to be applied to all models. So it isn't designed to do cross-model
measuring. You'll have to set up a little function yourself to do that.
On Thu, Mar 24, 2011 at 7:05 AM, Daniel Carbajo <daniel.carb...@gmail.com>wrote:
> Hello everybody,
> I have a little problem when measuring distances between C-alphas of
> residues belonging to different proteins.
> I have 3 proteins loaded (each with just one model, so: 1.1, 2.1 and 3.1),
> the first one is a native protein, and the other 2 are homology models for
> this protein.
> My objective is to measure the distance between a residue of the native
> protein (let's say residue 46, chain A) and the same residue in the 2
> models, at once.
>
> If I do:
> set measureAllModels ON; set measurementUnits angstroms; measure (1.1 and
> 46:A.ca) (not 1.1 and 46:A.ca)
> I get the output:
> measurementUnits = "angstroms"
> [[ASP]46:A.CA/1.1 #338, [ASP]46:A.CA/2.1 #362, 9.81 Å]
>
> As expected, it measures just between the native protein and the first
> model (the first occurrence of the second atom expression). So I need to use
> "set measureAllModels ON".
>
> But if I do:
> set measureAllModels ON; set measureAllModels ON; set measurementUnits
> angstroms; measure (1.1 and 46:A.ca) (not 1.1 and 46:A.ca)
> I get the output:
> measureAllModels = true
> measureAllModels = true
> measurementUnits = "angstroms"
> [[ASP]46:A.CA/1.1 #338, [SER]49:A.CA/1.1 #362, 9.27 Å]
> [[ASP]42:A.OD2/2.1 #338, [ASP]46:A.CA/2.1 #362, 14.85 Å]
> [[ASP]42:A.OD2/3.1 #338, [ASP]46:A.CA/3.1 #362, 11.89 Å]
>
> But I expect an output like:
> measureAllModels = true
> measurementUnits = "angstroms"
> [[ASP]46:A.CA/1.1 #338, [ASP]46:A.CA/2.1 #362, 9.81 Å]
> [[ASP]46:A.CA/1.1 #338, [ASP]46:A.CA/3.1 #362, x.xx Å]
>
>
> What am I doing wrong?? Where do these 49:A.CA/1.1, 42:A.OD2/2.1,
> 42:A.OD2/3.1 atoms come from if they do not meet the atom expression stated
> above???
> Thanks a lot for your help,
> Daniel
>
>
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--
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