Yes, sorry - must have erred in my cut/paste of the file.
On Thu, Jul 16, 2015 at 8:04 AM, Angel Herráez wrote:
> Jaim, that's what 1crn has. No H's, since it's an X-ray structure.
> I'm getting the same results in load =1crn (i.e. the pdb file)
>
> I guess Bob run the script through a differen
Jaim, that's what 1crn has. No H's, since it's an X-ray structure.
I'm getting the same results in load =1crn (i.e. the pdb file)
I guess Bob run the script through a different molecule ;-)
--
Don't Limit Your Business. R
> On Jul 15, 2015, at 11:46 PM, Robert Hanson wrote:
> Most recent Jmol version allows
> X = Jmol.evaluateVar(jmolApplet0, {*}.element.pivot
>
> $ load =1crn
> $ print {*}.element.pivot
> {
> "C" : 1017
> "H" : 532
> "N" : 268
> "O" : 375
> "S" : 10
> }
What exactly happens
Most recent Jmol version allows
X = Jmol.evaluateVar(jmolApplet0, {*}.element.pivot
$ load =1crn
$ print {*}.element.pivot
{
"C" : 1017
"H" : 532
"N" : 268
"O" : 375
"S" : 10
}
$
:)
--
Don't Limit
Dear Angel,
Your suggestions worked perfectly, with a little tweaking.
Thanks!
Eric
On 7/14/15 2:07 PM, Angel Herráez wrote:
> http://stackoverflow.com/questions/5667888/counting-occurences-of-javascri
> pt-array-elements
-
Dear Eric,
A possible solution in javascript, try something like this
function test() {
Jmol.script(myJmol, 'load =1d66');
d = Jmol.evaluateVar(myJmol, '{*}.element');
}
and then
http://stackoverflow.com/questions/5667888/counting-occurences-of-javascri
pt-array-elements
-
print {*}.element.sort
prints a sorted list of all chemical elements that occur in the loaded
model.
1. How would I convert this to a list of the chemical elements in the
loaded model (one line per element) and the atom count for each element?
Perhaps as two arrays. Something like this, for 1d
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