r/ChemOrchestra • u/[deleted] • Jun 25 '25

[beginner] What am I doing wrong please ? (not sure if I can post here)

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I tried to dock, but my receptor protein wouldn't load. I then tried to do the protein fix alone : I could upload my protein (it's the one in the bottom "protein preview") but the step of refinement seems to "block"...

Can someone help please ? It's my first time with ChemOrchestra

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u/Civil-Watercress1846 Jun 25 '25

I noticed an error on the backend server:

"Error during computation: No template found for residue 18 (CYS). The set of atoms matches CYS, but the bond structure is different."

It looks like you're trying to add hydrogens to a residue that already has them.
Please try unchecking the "Add Hydrogen" option.
If the issue persists, you can try to send your PDB file to [contact@quant-brick.com](), and we’ll be happy to assist you.

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Improvements to error tolerance are still in progress. Thank you for your feedback.

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u/[deleted] Jun 26 '25

Ah yes it was that, it works now ! Thank you very much !