subroutine char MY_KEY 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 .a by resi atom numb IATOM end break resi IATOM2 IATOM rena seq Z sele by resi atom numb IATOM end append rena resi CTR sele by resi atom numb IATOM end key MY_KEY sele MY_KEY .a .n atom numb IATOM end rewind file return 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 .a by resi atom numb IATOM end show vari IATOM2 wr sele atom numb IATOM IATOM2 end coor pdb echo BREAK RESIDUE IATOM IATOM2 break 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