structure reset @./protein.psf end {*Read the structure file.*} flags exclude * include NOE CDIH end set message on echo on end noe reset nrestraints = 30000 ! allocate space for NOEs ceiling 100 class prot @@restraints.tbl {*Read NOE distance ranges.*} averaging prot sum potential prot soft sqconstant prot 1. sqexponent prot 2 scale prot 25 soexponent prot 1 rswitch prot 1.0 sqoffset prot 0.0 asymptote prot 2.0 end !restraints dihed reset !@@./tables/dihedrals.tbl ! scale 200 !end set message on echo on end coor @./protein.pdb print threshold=0.001 noe print threshold=-0.00001 cdih stop