subroutine char MY_KEY ! show vari MY_KEY ! echo " -------------- NEW LINE ------------" ! wr sele MY_KEY end coor pdb set vari IATOM inte atom sele MY_KEY end ! show vari IATOM if ( IATOM .le. 0 ) return set vari IATOM2 inte atom sele by bond atom numb IATOM end ! show vari IATOM2 ! wr sele atom numb IATOM IATOM2 end coor pdb ! echo JOIN RESIDUE IATOM IATOM2 join resi IATOM2 IATOM !rena seq Z sele by resi atom numb IATOM end append !rena resi CTR sele by resi atom numb IATOM end ! wr sele by resi atom numb IATOM end coor pdb key MY_KEY sele MY_KEY .a .n atom numb IATOM end rewind file return