Dear Jmol Users
I managed to get the functionality as far as being able to print PDB
coordinates into a textarea. Also, after rotating a structure using
rotateSelected, i can print an updated version of the coordinates, so
far its exactly what I wanted.
Now, I am actually working not with a PDB file, but with a PQR file,
which I load by issuing
'load pqr::./file.pqr', which is followed by
'set propertycolorscheme "bwr" ', and
'color property partialcharge'.
It perfectly displays different colors (blue, white and red) for the
different partial charges of the PQR file, great.
I define the javascript function to write the coordinates in to the
textarea:
function onClickWrite()
{
//document.getElementById("data").value = jmolEvaluate('write("PQR")');
document.getElementById("data").value = jmolEvaluate('write("PDB")');
}
I'm observing two different behaviors, depending on whether I write
'write("PDB")', or 'write("PQR")'. In the former case, the coordinates
are written to the textarea but the charge from the PQR format is
replaced by XX. If I use the latter, instead of the coordinates, it is
written something like JPG64. I can't find any state-file nowhere with
that name either.
So my question is, if it is not possible to use 'write("PQR")' at all?
If not so, I will just require to patch some scripts together, however I
was hoping it would work.
Thanks for your support so far.
Martin
Am 20.10.11 19:21, schrieb Robert Hanson:
> somehow this got separated into two threads, I think. See previous
> message. jmolEvaluate('select ....') will fail with an error. You need
>
> jmolScriptWait("select *")
>
> followed by
>
> ..... jmolEvaluate("write('PDB')")
>
>
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