Exactly what I need. Thank you!
Xianghai
On Fri, Jul 21, 2017 at 12:49 PM, Geoffrey Hutchison <
geoff.hutchi...@gmail.com> wrote:
> Sure. The API call would operate on an OBBond:
>
> http://openbabel.org/api/2.3/classOpenBabel_1_1OBBond.shtml#
> a62b38719673238813acc911788969922
>
> > I'm trying
Sure. The API call would operate on an OBBond:
http://openbabel.org/api/2.3/classOpenBabel_1_1OBBond.shtml#a62b38719673238813acc911788969922
> I'm trying to edit a molecule through internal coordinates like you would do
> in a graphic editor. For example, I would like to change the bond length
Hi,
I'm trying to edit a molecule through internal coordinates like you would
do in a graphic editor. For example, I would like to change the bond length
between atom A and atom B, and moving the connecting groups accordingly. Is
this possible in python? or possible at all?
Thank you,
Xianghai
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