uw-ipd / RoseTTAFold2NA

RoseTTAFold2 protein/nucleic acid complex prediction
MIT License
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C3' used as end axis for delta torsion #26

Closed jamaliki closed 1 year ago

jamaliki commented 1 year ago

https://github.com/uw-ipd/RoseTTAFold2NA/blob/a94a061760cedef450aa1073a5b6f161cbf54e05/network/util.py#L622

Hi, I think I may be misunderstanding something. In https://github.com/uw-ipd/RoseTTAFold2NA/blob/a94a061760cedef450aa1073a5b6f161cbf54e05/network/chemical.py#L754 , it seems clear that the delta torsion is supposed to be defining the position of the O3' atom. However, in the code referenced above, the rotation is being defined on the C3' atom. Is this an issue?