Select atoms to trace |
multi select list |
The list of atoms contained in the molecule. |
Deselect All |
button |
Deselect all the entries in the Select atoms to trace list. |
Select All |
button |
Select all the entries in the Select atoms to trace list. |
Selection type |
radio buttons |
Select the kind of operation:
- pass all selected
- Pass to output only the atoms selected in the list
- remove all selected
- Remove from the molecule only the atoms selected in the list
- pass all similar
- Pass to output the atoms with names that starts like to the ones selected in the list
- remove all similar
- Remove from the molecule the atoms with names that starts like to the ones selected in the list
|
Select operation |
radio buttons |
The operation to be performed. It can be:
- inactive
- do nothing.
- immediate
- for each step update the accumulator.
- accumulate
- for each step accumulate only the atoms positions. This is useful when the accumulator limits are not know.
- playback
- use the accumulate positions to update the accumulator.
|
Clear |
button |
Empties the accumulator. |
Accumulator side |
numeric field |
The number of cells on each side of the accumulator. |
use manual limits |
toggle |
For the accumulator volume use the limits entered below. If not set the volume limits are computed by the module and show
in the fields below. |
X, Y, Z min |
numeric fields |
Lower coordinates values for the volume. |
X, Y, Z max |
numeric fields |
Upper coordinates values for the volume. |