berix Lv 1
I don't have a background in biochemistry so my suggestions are limited to the "game" aspect.
The current tools are OK for fine tuning a, but some additional tools, or new options on current tools, might be useful especially when larger moves are desired:
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Shake/Wiggle process tend to get stuck in local minima a lot. A way to generate perturbations of the current configuration, or at least to shake/wiggle more "rigorously" would be useful. The magnitude of perturbation should be user selectable.
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As suggested by others, a twist tool. My current method of using pairs of background anchored bands is a bit clunky.
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A "god mode" that ignores collisions and all constrains other than the chain being unbroken. This would be useful for quickly changing the global configuration. Currently, such large changes need to be painstakingly done step-by-step while the application worries about collisions that will be irrelevant when the final configuration is reached.
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A coloring mode that gives information about the stiffness of sections or connections, ideally seperately for bending and torsion.
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A way to set the molecule spinning for easy viewing. In some programs this is done with a mouse gesture: click + drag sets the molecule spinning in the direction of the drag, with the rotational speed proportional to the speed of the drag. A click + hold should stop the spinning.
–Yavuz