Target structure box in the See Result display

Janelle took notice that ViennaUTC’s design “Biusve” in Cloud lab 9, scored well (92%) while having lots of red in the target structure box. (In top middle of the picture, to the right)

As Janelle said: Interesting, didn’t realize you could submit molecule’s “redded out” like this one was. Realized that the other day and submitted one myself that way.

Nandos bot ViennaUCT had a comment to that. As Vinnie put it himself: I’m such a rebel sometimes :stuck_out_tongue:

I didn’t understand what Janelle meant in the beginning when she was talking about the red and white box. I was looking at the SHAPE data in the See Result display, where I didn’t see it.

When I looked at both the View/Copy and See results displays, the design is actually stable (according to the shape data) where the target structure box says it will be unstable. The box says it will be unstable in the middle stretch with the 2-2 loop, but the SHAPE data is overall blue in that area = stable.

I also realized that I wasn’t getting that information while I was looking at the SHAPE data.

I think we need to make the target shape box available from inside the See Result display (showing the shape data), as it will mean we can get a better feeling about where we can stray from the energy model with succes. It will be a help for us to detect the discrepancies between the energy model and what nature really does.

Thanks to Janelle for the inspiration for this post.

“It will be a help for us to detect the discrepancies between the energy model and what nature really does.” - excellent

Yes, I very much agree. This would be a most excellent improvement!