dMMpbsa access?


I was reading the dMMPBSA, the new scoring function of HADDOCK. I was wondering how to access this method to calculate the new score on my HADDOCK output models.



Hi Arjun,
I am properly packing HADDOCKPBSA to run dMMPBSA scoring function. I want be sure that it works both with APBS and DelPhi PB solvers. Could you contact me in private with your email? I will send you the tool in an alpha version in order to test it.

Hi Andrea,

I have mailed you. Awaiting to hear back.


Hi Andrea,

I am also interested in using HADDOCKPBSA ; Is it now available in the servers?


No server version - sorry

That’s fine. Can you please point me to the source code if that is now available ? Or any other way it is being used …

(Or I guess I should say Billions of blue blistering barnacles!!)

Please contact Dr. Spitaleri directly for it

Dear all,
let me apologize to be strongly absent in releasing the stable dMMPBSA tool due to my recently work change. I will, for sure, release an usable version by the end of this year. My aim is to give full support to DelPhi for the PB calculation and NanoShaper for the SA part. So far, the results seem more reliable with respect to APBS with greater speed.
Keep it tuned!!:wink: