A bucket full of naming options

[selection/atom names] [-c] [-s=]

The command allows the atom names to be changed.

  • -c: checks if the generated names are unique.
  • -s: changes the suffix only (no value removes the suffix, i.e. the part of the label after the element symbol and numerical value)

>>name O1 O2: renames O1 to O2 >>name 1: (some atoms selected). Sequentially names the atoms in order of the selection by adding 1,2, etc to the element symbol. Note that in this case if any generated name is not unique (and the -c option is not given), a random name will be generated. >>name $q C: changes the element type of Q to C - all the electron density peaks will become carbons. >>name sel -s=a: changes suffix of the selected atoms to ‘a’, replacing any existing suffix. Note that sel is a required keyword in this case (but may be removed in the future. >>name Q? C?: changes the type for all electron density peaks with single number labels to carbon atoms, preserving the number