You can access values of related data items by using the corresponding prefix, e. g. in an expression for atoms, you can refer to the residue number by res.num.
item value type explanation mol num integer molecule number mol number integer molecule number res num integer residue number res number integer residue number prim num integer primitive number prim number integer primitive number mol name string molecule name res name string residue name atom name string atom name angle name string angle name atom shift float chemical shift of atom atom bfactor float B factor of atom atom vdw float van der Waals radius of atom atom charge float partial charge of atom atom heavycharge float charges on heavy atoms atom avgcharge float averaged charges on heavy atoms atom simplecharge float simple charges from setup file atom d float distance from reference atom(s) bond len float bond length angle val float angle dist val float distance dist limit float limit of constraint dist viol float violation of constraint dist upl bool true if distance is upper limit dist lol bool true if distance is lower limit dist hbond bool true if distance is H-bond atom attr integer graphics attribute index bond attr integer graphics attribute index dist attr integer graphics attribute index prim attr integer graphics attribute index
Reto Koradi, kor@mol.biol.ethz.ch