Re: [Jmol-users] [External] Modify the conformation of a molecule ?

[Otis R. <osr...@gm...>]

Tom,


ModelKitMode was introduced into jmol to do the kind of modification and
rotation that you want to do. In my model kit application, I simply took
ModelKitMode and incorporated it into my web page format via buttons for
direct use by students.


Take a look at:

<https://chemagic.org/molecules/amini.html>

https://chemagic.org/molecules/amini.html


The (Put Share ), (Get Share), (Get Model File), and (FB Share URL) buttons
on the right side illustrate some things you can do with the extracted
molfile. Actually, the Clear/Reset button uses the extracted molfile, but
it's not as obvious.


Re rotation, the (Rotate Bond) button is simply using ModelKitMode via
native jmol commands.


Otis

On Sun, Jul 5, 2020 at 8:47 AM Kubasik, Matthew A. <MKu...@fa...>
wrote:

> Tom,
>
> You could also use “rotate branch”.  For example, to obtain the “eclipsed”
> ethane structure:
>
> load $ethane
> C2H6
>
> $ rotate branch (@1) (@2) 60
>
> (In the above, ethane is loaded in the staggered configuration.  The
> carbon atoms are loaded as atomno=1 and atomno=2.)
>
> Matt
>
> > On Jul 5, 2020, at 4:32 AM, Angel Herráez <ang...@ua...> wrote:
> >
> > Hi Tom.
> > Yes, it is possible.
> > Try " rotateselected "
> >
> > To save it, best will be to pick the JMOL or PNGJ formats. Those will
> ensure you keep everything
> >
> > --
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-- 
Otis Rothenberger
http://chemagic.org