Missing analysis of Intermolecular Hydrogen Bonds

HADDOCK
1

Hi community,

I’ve just set up and run my own local docking sim with HADDOCK2.4 and am following the analysis tutorial (https://www.bonvinlab.org/software/haddock2.2/analysis/#hb) to see hydrogen bond stats. However, I am missing the analysis of intermolecular hydrogen bonds which is really the key thing I’m looking for.

The ‘hbonds.disp’ file is missing from my results. Does anyone know how to create this?

Thanks!

2

Check the 2.4 manual

https://www.bonvinlab.org/software/haddock2.4/run/#analysis-and-clustering

You need to define full analysis in run.cns to get those files

3

Brilliant! So simple, thanks!