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RosettaCommons / RoseTTAFold

This package contains deep learning models and related scripts for RoseTTAFold
MIT License
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GLY-ALA ----> ALA-GLY #77

Closed pguillem closed 3 years ago

pguillem commented 3 years ago

Maybe this is a silly question..

The loop on line 84 of RosettaTR.py mutates every GLY to ALA before minimization.

The loop at line 210 mutates back - not the originally mutated positions, but every ALA, including the ones that didn't come from a GLY.. meaning there are no ALAs left in the system after line 210.

Did someone overlook this? or this is the expected behavior? .. just catched my attention.

pguillem commented 3 years ago

Never mind.... I just realized that "seq" is the same for both loops.