Incorrect geometry in MarvinSpace?

Hi, folks

Sorry to be reporting a problem, when in reality I'm pretty pleased with the software!  As a test of the program, I created the molecule ICl₃ in Marvin Sketch, then imported it in MarvinSpace.  MarvinSketch correctly rendered the structure, including two lone pairs on the iodine.  However, MarvinSpace displays the molecule as having a trigonal planar geometry, while it should be T-shaped.  I think this is because it puts the lone pairs in the axial positions, when they should be in equatorial positions.

Similarly, I created an SO₂ molecule in MarvinSketch.  This was correctly rendered as having two bonds and one lone pair on the sulfur, which should result in a bent geometry, but MarvinSpace rendered it as a linear molecule.

I strongly suspect that there's a setting in MarvinSpace I can change that will cause it to find the correct geometry, but I haven't found it yet.  Where am I messing up?

Cheers,

--Bill

Dear Bill, 

the issue you wrote about is known to us, but the problem is not with MarvinSpace, but with the 3D Cleaner module. Currently it could not take into account the VSEPR theory to generate the correct 3D structure for the molecule with its lone electron pairs.

This feature would require lot of resources to implement. Unfortunately we do not plan to do that in the near future.  

Best wishes, 

Daniel