Re: [Jmol-users] version 11.5.49 ... is "max" broken? --- fixed -- and 11.5.51 new features

[Bob H. <ha...@st...>]

11.5.49 and 11.5.50 are broken for ".max" (.min is OK)

This is fixed for 11.5.51 -- Nico, if you would please release that.
Files are also available in http://chemapps.stolaf.edu/jmol/docs/examples-11

Also new for 11.5.51, while I am at it...

CIF BETAij anisotropic support -- preliminary -- totally untested

correct implementation of set axisOrientationRasmol. (inverted Y axis; 
default position rotated 180 degrees about X)

slightly different axis labels for set axesmolecular TRUE (+x, +y, +z) 
or FALSE (x, y, z) or axisOrientationRasmol -- x, (y), z

The Jmol application has a set of buttons in the toolbar across the top 
of the window -- rotate, select, and measure. As far as I can tell, 
these were never implemented. They are now. Click the pointer (select) 
to select atoms using SHIFT-LEFT dragging the mouse to display a 
selection box. (Not tested on Macs.) The algorithm uses the "tog" 
function --

select selected tog {...what you select by dragging...}

That's not in the documentation, I think. "tog" stands for "toggle". 



A tog B = (not A)    if A == B
A tog B = (A or B)   if A != B

Mostly, I don't recommend using tog! But in this case tog

1) selects everything that is in the selection box if none of the atoms 
are selected already.
2) selects everything not already selected if some but not all of the 
atoms are selected already.
3) does a NOT operation if all atoms are already selected.

Believe it or not, that's pretty intuitive. The more you select, the 
more atoms are included, but if you select a set of atoms that are 
already all selected, then those atoms are unselected.

Bob


Thomas Stout wrote:

>
> Hi everyone --
>
> I have a script that iterates over a range of residues that is defined 
> by choosing the "min" and "max" residue numbers.  When testing out 
> version 11.5.49 in order to take advantage of some of the great new 
> additions, I find that the line in my script with "max" is throwing 
> errors...specifically:
>
> select ligand;
> nAtoms= {selected}.size;
> rx = {selected}.resno.min;
> ry = {selected}.resno.max;
>
> for (var i=rx;i<=ry;i=i+1)
>     ETC
>
> and here is the resulting error:
>
> 84 atoms selected
> script ERROR: unrecognized atom property: 0x300092
> ----line 4 command 4 of  file null:
>           ry = { selected } . resno . >> max <<
>
> This happens both from my script and when entering the commands into 
> the console.  BTW, I am using the applet in a web page....
> I would expect that I've created my own mistake, but this does work as 
> written in version 11.5.37. <http://11.5.37.>....
>
> Thoughts?
>
> Thanks,
> Tom
>
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get. 

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900