I have the LIST file for the docked structures named as complex_HS_irmsd_lrmsd_fnat. I am facing issues in interpreting the file as in which values belong to which structure in which cluster. Please help me to rectify the problem.
The last column gives the cluster number (with 0 indicating it does not belong to a cluster).
But if you want to dive into the details, look rather into the structures/it1/water directory where you will find cluster specific files.
For the meaning of the various files refer to:
https://www.bonvinlab.org/software/haddock2.4/analysis/#cluster-based-analysisThanks a lot for your reply. I am still confused about the files. I want to compare 3 different docked structures based on i-RMSD, L-RMSD and F-nat. As I mentioned earlier I got the files from the path you specified but I am not sure how to check the values for the best structures.
Thanks in advance and sorry for the inconvenience.
Do you want to get those values with respect to some reference structure?
It that’s the case I would suggest to try to use DockQ