Many thanks, Rolf!
On Thu, Feb 5, 2015 at 4:58 AM, Rolf Huehne <rhue...@fli-leibniz.de> wrote:
> On 02/05/2015 03:09 AM, Jing Xie wrote:
> > Hi,
> >
> > I am able to use command line to execute jmol.jar and execute some jmol
> > command to get some output files. For example, I can get atomIno from the
> > comman " C:\MAMP\htdocs\Kinari2_Resources\External\jmol>java -jar
> > "jmol.jar" -x -n "1000041.cif" -J "getProperty atomInfo" -o>
> > "outputAtomInfo.txt" " . But I think this output file is based on
> original
> > visulization, i.e. "load xxxxxxx.cif". Is there some code to get atomInfo
> > from "load xxxxxxx.cif packed" visualization?
> >
> Moving the load command into the '-J' option should work:
>
> java -jar "jmol.jar" -x -n -J 'load 1000041.cif packed; getProperty
> atomInfo' > outputAtomInfo.txt
>
> Regards,
> Rolf
> --
>
> Rolf Huehne
> Postdoc
>
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