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How do I differentiate ligands in Chai-1 predictions from web server? #137

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zqcai19 opened this issue Oct 30, 2024 · 1 comment
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@zqcai19
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zqcai19 commented Oct 30, 2024

Hi Chai team,

I encountered an issue when predicting protein-ligand structures using the Chai-1 web server. It appears that all ligands in the predicted structures are renamed to “LIG”, which prevents distinguishing between multiple ligands during evaluation.

Is there a solution to resolve this? Ideally, would it be possible for the predicted ligand names to correspond to their respective CCD?

Thanks for your assistance!

@ianandersonlol
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ianandersonlol commented Oct 30, 2024

They have a different chain which you can use to differentiate. It chooses the chain based on the order submit it on the website. You can differentiate based on Chain instead of ligand name.

@arogozhnikov arogozhnikov added the question Further information is requested label Nov 5, 2024
@arogozhnikov arogozhnikov changed the title Ligand Naming Issue in Chai-1 Predictions on Web Server How do I differentiate ligands in Chai-1 predictions from web server? Nov 5, 2024
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