Dimer docking chain submission problem

HADDOCK
1

Hello everyone,

I am running into a bit of trouble with the file manipulation of the receptor structure (a protein dimer). As I understand from the forum, both of the chains should be merged into one.

After merging both chains into chain A, the HADDOCK interface only considers the first part of the chain (that would have corresponded to the initial first chain).

Any idea on how to handle this? (I’ve also attached the file below)

Thank you for your help!

renumb.pdb (350.2 KB)

2

Merge the two chains, give them a unique chainID and renumber the residues to avoid overlap.

What are the issues left with this file?