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chaidiscovery / chai-lab

Chai-1, SOTA model for biomolecular structure prediction
https://www.chaidiscovery.com
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How do I differentiate ligands in Chai-1 predictions from web server? #137

Open zqcai19 opened 3 weeks ago

zqcai19 commented 3 weeks ago

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 commented 3 weeks ago

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.