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RosettaCommons / RFDesign

Protein hallucination and inpainting with RoseTTAFold
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Inpainting not using --receptor_chain argument #16

Closed ajbordner closed 2 years ago

ajbordner commented 2 years ago

Inpainting appears to be ignoring the --receptor_chain argument. The receptor chain is not included in the output PDB or .trb files. Here is an example of designing a 20-residue loop in a heterodimer complex:

python RFDesign/inpainting/inpaint.py --pdb ~/structures/4i0c.pdb --contigs D1-95,20,D116-127 --out ~/output/4i0c_inpainting --receptor_chain A --dump_all

joewatchwell commented 2 years ago

Hi! Thanks for raising this, you're right that the --receptor_chain flag wasn't implemented. I've removed reference to it in the arguments, and explained in the README how to input a receptor chain (lines 87-94). Good luck! Joe