Xpcs violation printouts - alter limits on web interface?

Hi, I use the guru web interface for ligand docking using PCS. I found that violations are only shown if I input incorrect tensor values, indicating that the PCS restraints are being read but that the violation limits are too high to give me useful outputs. Is there a way to alter this in the web interface?

I found the line
CNSsolve>display #filename rms_xpcs #viol>1ppm #viol>0.5ppm #viol>0.2ppm
in print_xpcs.out, but I have found no field in the interface to do this.

Also, is there a way to alter the force constants per tensor-PCS set, or is the only way to effectively alter the PCS contribution to alter the error?


There is no control of the print parameters in the portal.
Note that the violations can be found in the print_xpcs.out.gz file and not in the xpcs.disp file.