| | At some occasions, the implicit logical ANDs and ORs
are not sufficient to express your selection. You can then also use them explicitly and add a
'not' to negate the entire selection block. Examples:
|
ColorAtom !CA !CB,Blue
| Color all blue (atoms which are not CA or not CB,
which adds up to everything) |
ColorAtom !CA and !CB,Blue
| Color all except CA and CB atoms blue (solving the problem above) |
ColorAtom not CA CB,Blue
| Same as above. Take atoms called CA or CB and invert the selection. |
DelAtom CA Res Lys or CB Res Arg
| Delete CA atoms in Lys plus CB atoms in Arg (note that after the
'or', the selection type has been switched back to 'Atom' even though it was at
'Res' before the 'or') |
DelAtom Protein and not CA Res Lys
| Delete all protein atoms except CA in Lys | |
|
Note that the explicit 'and' (in contrast to the explicit
'or') performs an inflation before the actual operation: |
ColorAtom CA and CB,Blue
| Color nothing at all (no atom is called CA and CB at the same time) |
ColorRes Atom CA and Atom CB,Blue
| Color all residues with a CA and a CB atom blue |
|
The same is true for the 'not'. It also
inflates the current selection block before inverting: |
DelRes Atom CA
| Delete all residues that contain a Calpha atom |
DelRes Atom !CA
| Delete all residues that contain an atom which is not a Calpha
(leave the Calpha only residues) |
DelRes not Atom CA
| Delete all residues that do not contain a Calpha atom
(note how the selection of Calpha atoms has been inflated to cover entire residues before being inverted by the
'not') |
DelMol not Res Lys
| Delete all molecules that do not contain a Lys residue |
DelMol not Res Lys Arg
| Delete all molecules that contain neither a Lys nor an Arg residue |
DelMol not Res Lys or not Res Arg
| Delete all molecules that do not contain a Lys or do not contain an Arg residue |
ShowAtom Res Lys 43 Mol A or Res Arg 55 Mol B and SideChain CA
| Show side-chain plus CA atoms in residues Lys 43 (molecule A) and Arg
55 (molecule B) | |
|
