load=1xbr cpk off wireframe 30 rotate -x 90 rotate -y 90 define nb_small ((dt and (*.N1 or *.C2 or *.O2 or *.N3)) or (da and (*.N1 or *.C2 or *.C4 or *.N3 or *.N9)) or (dc and (*.N3 or *.O2 or *.C2 or *.N1)) or (dg and (*.N9 or *.C4 or *.N3 or *.C2 or *.N2 or *.N1))) and dna define nb_large ((dt and (*.C5 or *.C6 or *.C7 or *.C4 or *.O4)) or (da and (*.C5 or *.C6 or *.N7 or *.C8 or *.N6)) or (dc and (*.N4 or *.C4 or *.C5 or *.C6)) or (dg and (*.C8 or *.N7 or *.C5 or *.O6 or *.C6))) and dna define deoxyribose (*.O3' or *.O4' or *.O5') and dna define deoxyribose_carb *.C?' and dna define phosphate_oxygen (*.OP1 or *.OP2) and dna define phosphate *.P and dna define prot_polar protein and (*.O?? or *.N??) define prot_nonpolar protein and (*.C?? or *.S??) select nb_small cpk 100 echo "minor groove" pause cpk off select nb_large cpk 100 echo "major groove" pause cpk off select deoxyribose or deoxyribose_carb cpk 100 echo "deoxyribose" pause cpk off select phosphate or phosphate_oxygen cpk 100 echo "phosphate" pause cpk off select prot_polar cpk 100 echo "polar atoms of protein" pause cpk off select prot_nonpolar cpk 100 echo "nonpolar atoms of protein" pause cpk off select all measure RANGE 1.0 3.5 ALL (nb_small and *.N??) (prot_polar) echo "polar contacts with minor groove nucleobases" pause measure off measure RANGE 1.0 3.5 ALL (nb_large and *.N??) (prot_polar) echo "polar contacts with major groove nucleobases" pause measure off measure RANGE 1.0 3.5 ALL (deoxyribose) (prot_polar) echo "polar contacts with deoxyribose" pause measure off measure RANGE 1.0 3.5 ALL (phosphate_oxygen) (prot_polar) echo "polar contacts with phosphate" pause measure off measure RANGE 1.0 4.5 ALL (phosphate) (prot_nonpolar) echo "nonpolar contacts with phosphate" pause measure off measure RANGE 1.0 4.5 ALL (deoxyribose_carb) (prot_nonpolar) echo "nonpolar contacts with deoxyribose" pause measure off measure RANGE 1.0 4.5 ALL (nb_small and *.C??) (prot_nonpolar) echo "nonpolar contacts with minor groove nucleobases" pause measure off measure RANGE 1.0 4.5 ALL (nb_large and *.C??) (prot_nonpolar) echo "nonpolar contacts with major groove nucleobases" pause