リガンドの選択
lib/python/pymol/preset.pyを参考にして作成。
PyMOL> select ligand, ( hetatm or not (resn ALA+CYS+CYX+ASP+GLU+PHE+GLY+HIS+HID+HIE+HIP+HISE+HISD+HISP+ILE+LYS+LEU+MET+MSE+ASN+PRO+GLN+ARG+SER+THR+VAL+TRP+TYR+A+C+T+G+U+DA+DC+DT+DG+DU+DI) ) and not ( (resn WAT,H2O,HOH,TIP) or (resn CA,HG,K,NA,ZN,MG,CL) or (resn MSE) )