Does anyone know of any good software that would allow me to view the structure of a compound while also allowing me to change the bond angles in the structure (and give me numeric values for those angles)?

I'm looking for something freely available, but that's not a major requirement. Thank you so much!


Have a look at Avogadro!

  • build your own structures or import files in various formats.
  • optimize the geometry using different force fields
  • change and measure bond length, bond angles and dihedral angles

Once you've used it, you don't want to miss it again.


Geoff Hutchison, who cannot be praised enough for his child Avogadro, has given the right directions in his comment. I'm just adding some images to illustrate how easy angle adjustment is:

  1. Draw a molecule in Avogadro
  2. From the main menu, select Build -> Properties -> Angles or whatever the localized menu of your system shows (on my German machine, it is Ansicht -> Eigenschaften -> Winkeleigenschaften)
  3. In the table that pops ups, select the angle you want to change. Note that the atoms of the selected angle are highlighted

enter image description here

  1. Change the value for the angle. Note that the geometry of the molecule is immediately updated!

enter image description here

So again, I think that Avogadro is one of the best tools available and it is free and open source! Use it in education, use it in research and whenever you do, cite the Avogadro paper!

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    $\begingroup$ I heartily agree. :-) Indeed, there's a "bond manipulate tool" that allows you to do this, or you can go to Build -> Properties -> Angles and edit the table that appears. $\endgroup$ – Geoff Hutchison Apr 19 '15 at 23:46
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    $\begingroup$ @GeoffHutchison I could have bet you would ;) I apologize for not bringing up your name in the first! $\endgroup$ – Klaus-Dieter Warzecha Apr 20 '15 at 9:33
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    $\begingroup$ no problem. I don't think you need to mention my name - it's somewhat off topic. $\endgroup$ – Geoff Hutchison Apr 20 '15 at 12:14
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    $\begingroup$ @GeoffHutchison credit is given where it is most deservedly due! What a magnificent program! $\endgroup$ – user15489 Apr 20 '15 at 12:18

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