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You could probably look at protein folding libraries like pymol. Although not exactly the same, it’s generally close enough to ropes and it has enough knobs wh
by bg46z 4y ago
You could probably look at protein folding libraries like pymol. Although not exactly the same, it’s generally close enough to ropes and it has enough knobs where you should be able to run the simulations you want
- dekhn 4y agoWouldn't really be helpful- first, pymol is a visualizer, not a folder. Also, proteins have properties very, very different from typical knots. That does raise an interesting question- can proteins spontaneously fold into knots? The answer is yes although I was discouraged when I originally asked this question in grad school.
- gilleain 4y agoHmmm. PyMol is molecular viewer, which has a python scripting interface to various libraries ... but is not a folding library I would say. There is some research into the topology of DNA (especially circular DNA, like plasmids which is a knot) that considers things like writhe and twist. Not sure it would adapt too well to macroscopic systems though. There is also the excellent KnotPlot for actually drawing the knots. I bought a licence once on a whim, but rarely use it :)