Unable to generate topology for ligand IOD. PRODRG did not create the required output

HADDOCK
1

I submitted PDB structures via HADDOCK Server 2.4, which contain iodine, e.g.:

HETATM 2656 I IOD A 311 21.537 36.399 1.691 0.50 28.73 I1-

However, the server shows the following error:

The following error occurred when processing one of your PDB file: Unable to generate topology for ligand IOD. PRODRG did not create the required output

Standalone version also complains on missing IOD in topology.

Thanks for your help!

2

You have to follow the proper nomenclature for your ion, which for HADDOCK is:

- residue name I1
- atom name I-1

See: https://bianca.science.uu.nl/haddock2.4/library

3

Thank you!