First pdb file contains multiple forms of the same residue

HADDOCK
1

Hi, I just submitted my protein-protein docking job at guru interface but it returned this error. What does it mean? How do I remove it? Please help

Error message

First pdb file contains multiple forms of the same residue. This is not supported in the current form. If you would like to supply multiple conformations, please create an ensemble
ATOM 1277 CA AGLN E 493 -39.920 30.982 7.452 0.50 62.36 C

2

The forum is searchable… usually a good idea to search a bit before posting a question :slight_smile:

A search with the error message will return many hits:

https://ask.bioexcel.eu/search?context=topic&context_id=3242&q=multiple%20forms%20of%20the%20same%20residue&skip_context=true

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