Can’t get matrix file (*_fcc.disp or *rmsd.disp)

HADDOCK
1

Dear Haddock users,

I have installed HADDOCK2.2 on my Mac. Previously the HADDOCK was working well. I got decent results. But recently I can’t get the matrix file (*fcc.disp or *rmsd.disp) for it1 and water refinements.
I tried to fix this problem by giving a “make” command in the haddock install dir and restarted the docking. Still I can’t get the matrix file.
Also, is it possible to get *fcc.disp or *rmsd.disp by manual analysis?

Could anyone please give me some suggestions? Any help would be greatly appreciated.

Thank you,

Binbin

2

Dear Binbin

Did you try to run one of the example? Does it fail?

Note that once you started a run, the analysis tools are taking from the tools dir in that run. So in your case you would need to also run make in the tools directory in your current run.

You can find information about manual clustering in our online manuals:

RMSD: http://www.bonvinlab.org/software/haddock2.2/analysis/#clusterrmsd
FSS: http://www.bonvinlab.org/software/haddock2.2/analysis/#clusterfcc

This assumes that either the RMSD of the FCC matrix is already calculated.