read coor pdb HR1958_R3_em_bcr3.pdb all to iupac read upl xplor HR1958_R3_em_bcr3.upl.old read cons xplor HR1958_R3_em_bcr3.hbond noe to iupac set cutupl 0.10 see viol noe sum viol_dist.pdbstat quit