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dauparas / LigandMPNN

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No ligand atoms parsed #27

Closed agarrubio closed 6 months ago

agarrubio commented 6 months ago

Which is the correct format for a ligand? I have this pdb. The ligand comes from a pose created by Diffdock on the included protein

https://drive.google.com/file/d/1yKB-oQVL7990IYedfybzCdcUGR6QbID0/view?usp=sharing

But In my computer and in https://colab.research.google.com/github/ullahsamee/ligandMPNN_Colab/blob/main/LigandMPNN_Colab.ipynb

I get No ligand atoms parsed

What is wrong? Thanks for your help!

agarrubio commented 6 months ago

Solved. I had an ENDMDL line between the protein and the ligand.