A super little bug - Githubissues

ikalvet / heme_binder_diffusion

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A super little bug #5

Closed cn-lugen closed 3 months ago

cn-lugen commented 3 months ago

"Thank you for uploading pssm_tools.py. Additionally, when I ran pipeline.ipynb, I found that line 39 of align_add_ligand_relax.py also needs modification."

ikalvet commented 3 months ago

Thank you for finding this! I fixed that and found a few other similar issues in two other files (scripts/design/heme_pocket_ligMPNN.py and scripts/design/scoring/heme_scoring.py). The reason for all of that mess was that I originally intended to upload this pipeline as a subdirectory in https://github.com/ikalvet/heme_binder_design, but later decided it deserves its own repo.