On 07/22/2011 06:27 PM, Daniel Carbajo wrote:
> Not the 'O' but the 0 (zero); the point is that I replace temperature
> factors with other numbers that go from 0 to 10 and I want to do the
> following:
> -if all the values in the residue are 0 (i.e. min and max are equal to 0), I
> take the 0
> -if all the values in the residue are NOT 0 I take the minimum
> -if there are values in the residue equal to 0 and others NOT equal to 0, I
> take the minimum that is NOT 0 (i.e. the second minimum)
>
> I don't know if I am clear enough... the only problem is how to get the
> second minimum when the minimum is 0.
Sorry for the misunderstanding.
You can get the second minimum for example by this command:
var x = {selected and temperature>0}.temperature.min
The "atom properties" table in the Jmol scripting documentation provides
a good overview about how you can use information like "temperature" in
selection expressions, labels etc.:
http://jena3d.fli-leibniz.de/ImgLibPDB/Jena3D/doc/jmol_scripting/index.htm#atomproperties
Regards,
Rolf
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