Is it possible to run Haddock without specifying any residues?
I would like to see if it predicts the residues for interfaces for proteins…
Or do I have to use CPORT or something similar to predict residues to provide to haddock?
Is it possible to run Haddock without specifying any residues?
I would like to see if it predicts the residues for interfaces for proteins…
Or do I have to use CPORT or something similar to predict residues to provide to haddock?
There is an ab-initio mode available based on center-of-mass restraints between molecules. It does require expert level access. You can turn it on in the distance restraints menu.
This is actually described in our online CASP-CAPRI tutorial. See:
Another example of small molecule binding site screen in provided in the following online tutorial:
On a side note, CPORT continuously has the following 2 predictors failing:
PPISP, ProMate
with errors:
Error messages of the failed predictors
PPISP
Exception in thread PPISPPredictionInput=>InterfacePredictionResult:
substring not found
ProMate
Exception in thread ProMatePredictionInput=>InterfacePredictionResult:
These are external servers. Not in our hands. Did you try direct submission of your system to those server to see if you get a successful prediction?