Dear all:
The CSApot RDCpot1 and NOEpot have the "setShowAllRestraints" function, which 
report the detailed violation stats for each residue of these potentials, is 
there a similar function for the XplorPot. We are trying to figure out  the 
stats data to fill out the "Max. dihedral angle violation" and "Max. distance 
constraint violation" fields that are required by a journal.
Thanks.
Jian

Reply via email to