# Values

The following table lists the values that can be referenced for each kind of data item.

> 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

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`.

Last modified: Mon Jan 20 19:44:57 CST 2003