On Fri, Apr 29, 2016 at 1:13 PM, Chris St Pourcain <
chrisstpourc...@indigomolecularimages.com> wrote:
> Angel,
>
> Thanks for the quick reply and for your solution, it worked great. I
> managed to get it down to one line of javascript:
>
> var chains_list = Jmol.evaluateVar(jmolApplet4857_0, 'script("show
> chain")');
>
>
> Do you know if there is something similar ligands? I can see them in the
> menu, under Select->Hetero->By HETATM so I assume there must be some way to
> extract the information from the pdb file.
>
>
Chris,
You are on the right track. In http://chemapps.stolaf.edu/jmol/docs/misc/
there are several files xxxxinfo.txt that describe the various results of
getProperty. Realize that you can get that *as a JavaScript object *using,
for example, Jmol.getPropertyAsArray(jmolApplet0, "chainInfo")
HOWEVER, there is one that is not in that directory. "ligandInfo" does work:
$ getproperty ligandinfo
ligandinfo.ligands *List[2]
ligandinfo.ligands[1].groupNames "SF4"
ligandinfo.ligands[1].atoms "({611:618})"
ligandinfo.ligands[1].residueList "101:A/1.1"
ligandinfo.ligands[2].groupNames "SF4"
ligandinfo.ligands[2].atoms "({619:626})"
ligandinfo.ligands[2].residueList "102:A/1.1"
Note that if you do that in JavaScript, then the array starts with [0],
not [1].
x = Jmol.getPropertyAsArray(jmolApplet0,"ligandinfo.ligands")
x[0].groupNames
(I think that is a bug, actually, that "groupNames" is plural.)
Bob
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