Documentation on supported co-factors?

HADDOCK
1

Hi,

I’m docking some antibodies using Haddock 2.4 (local installation). I found that when including some co-factors the program would fail to start (e.g. NO3 and most ligands). Is there any documentation on which co-factors Haddock supports? Right now I’m finding out through trial and error :-).

2

While the server automatically generated topologies and parameters for co-factors, the local version does not, meaning you will have to provide those.

See HADDOCK2.4 manual - Frequently Asked Questions – Bonvin Lab

3

I’ll look into that. I assume that topologies for metal co-factors also need to be generated using the same approach as with ligands?

4

I think I found the answer to my question here: Bonvin Lab

5

Good!

Metal co-factors might be tricky though.