Much easier than I thought thanks a lot!! And by the way, how could I filter
0, so I take the minimum value excluding the 0? Thanks again!
Regards,
Daniel
2011/7/22 Rolf Huehne <[email protected]>
> On 07/22/2011 03:50 PM, Daniel Carbajo wrote:
> > Hello everybody,
> > I am trying to do the following:
> > I am labeling the C alpha atom of a protein residue including the
> > temperature factor value this way with no problem:
> > select @{"{" + res + ".ca}"}
> > var catom = {selected}
> > catom[1].label = "residue - %n_%c_%r - Bfactor: %b"
> >
> >
> > But now I would like to do the same (label the C alpha), but instead of
> > using the temperature factor of the C alpha, using the lowest temperature
> > factor in any of the residue atoms; something like:
> > select @{"{" + res + ".ca}"}
> > var catom = {selected}
> > select @{"{" + res + "}"}
> > var residue = {selected}
> > foreach atom in residue{
> > take the temperature factor and include it in an array
> > }
> > sort the array
> > take the first value of the array
> > catom[1].label = "residue - %n_%c_%r - Bfactor: first value of the
> array"
> >
> > I feel like it should be so simple, but I just cannot get it with Jmol
> > scripting... Thanks a lot.
>
> You can get the minimum temperature value with this command (tested with
> Jmol 12.0.43):
>
> var x = {selected}.temperature.min
>
> While testing the command I noticed that there is sometimes a deviation
> between the temperature value written in the loaded PDB file and the
> value reported by Jmol after single atom selection.
>
> Example:
> 1DEH, chain A, residue 1, atom 6
> PDB file: 60.30
> Jmol : 60.29
>
> I tested a few other atoms and sometimes there was a deviation and
> sometimes not.
>
> Regards,
> Rolf
>
>
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Learn 10 ways to better secure your business today. Topics covered include:
Web security, SSL, hacker attacks & Denial of Service (DoS), private keys,
security Microsoft Exchange, secure Instant Messaging, and much more.
http://www.accelacomm.com/jaw/sfnl/114/51426210/
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