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Layne-Huang / PMDM

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How to generate bond #26

Open HITzhongyu opened 3 weeks ago

HITzhongyu commented 3 weeks ago

Hi，Layne-Huang Thank you very much for your work, and I want to know in your work, only generate the atom and atom coordinate, and use the 'open babel' tools to generate the final drug stucture? I wonder how to generate the bond? thanks! Zhongyu

HITzhongyu commented 3 weeks ago

I also have another questios in your MDM_pocket_coor_shared.py line 374-378, I want to know why here ligand atom add context? Thanks! Zhongyu