RosettaCommons / RFdiffusion

Code for running RFdiffusion
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Is there a way to increase the weight of hotspots? #224

Open Huilin-Li opened 7 months ago

Huilin-Li commented 7 months ago

I want to use hotspots to lock where the designed binder should be. However, I tested around 100 combinations of all potential very hydrophobic AAs. Honestly speaking, I think the designed binders are pretty random around the target. In this plot, for example, under hotspot setting of [A73-A87-A44-A75-A54-A81], I generate 100 backbones and the small cross symbol is the center of each of these 100 backbones. I hope backbones could be above the light green plane, so I select hotspots who are also located above the light green plane. However, just like we see in FINAL.html file, hotspots don't force all backbones around the place I want. Is there a way to increase the weight of hotspots? So that, I can tell RFdiffusion to strongly generate backbones around the hotspots. Thanks in advance! FINAL.zip

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