distance between atoms? angles? dihedral angles?

Hello, is there a simple way in MarvinSketch to calculate the distance between two atoms in a 3D structure? How about to measure a dihedral angle of two atoms about a bond? 

bobgr wrote:

Hello, is there a simple way in MarvinSketch to calculate the distance between two atoms in a 3D structure? How about to measure a dihedral angle of two atoms about a bond?

Hello,

In MarvinSketch application there is no way to get this information, but using MS API it is possible.

Let me know if you are interested in the latter.

 

Kind regards

Zsolt

I've already figured out how to do it with the API, and I can add a button to MarvinJS that shows the distance or angle in a popup window. But I really encourage you to add such a feature to desktop MarvinSketch GUI as well. Now that you have discontinued MarvinSpace, it's a serious deficiency not to have such a feature. 

bobgr wrote:

I've already figured out how to do it with the API, and I can add a button to MarvinJS that shows the distance or angle in a popup window. But I really encourage you to add such a feature to desktop MarvinSketch GUI as well. Now that you have discontinued MarvinSpace, it's a serious deficiency not to have such a feature.

Thanks for your comments. I am going to make a ticket out of this request.

Kind regards

Zsolt

It would be ideal to update the dihedral angle measurement as the user uses the Group Rotation feature to rotate around a bond. That way, the user can easily set the dihedral angle to a desired value.