show
show "asym"
hows the content of the asymmetric unit. The names of those atoms, a number
that is used as index for its scattering type, their position and temperature
coefficient are listed. The number that is listed, is the number that refers to
the scattering curve of that atom. It is contained in the variable
m[<index>]. If a cell was read, all atoms are considered to be different,
even if they are chemically identical and have the same temperature
coefficient. If a whole structure was read, all atoms that are in the unit cell
0 <= xyz < 1, are chemically unique and have a different temperature
coefficient are included in the asymmetric unit.
show "atom",<number>
The type, position and isotropic B of atom number <number> are shown.
show "chem"
Displays the type of atoms present in the crystal. For each type of atom, its
scattering curve number, its name and its temperature factor are listed.
Warning, even, if all atoms of a particular type have been deleted, its
scattering type will remain in the list. This list could therefore include more
types of atoms than are actually present in the crystal. A short information
about the content of the asymmetric unit is printed.
show "cdim"
Prints the current crystal dimensions. The smallest and largest coordinates of
any atom along x,y and z are printed.
show "error"
The error status of DISCUS is displayed.
show "result"
The result array is shown on screen. The number of values shown depends on the
last calculation performed.
Further information about the crystal, its composition etc can be obtained by
evaluating the corresponding ==> variable.