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Altering Structures
Once a structure has been entered into Amass, a geometrically similar
copy of that structure can be generated at a different location in
space. The current structure displayed can be translated in X, Y, and Z,
and the resulting dataset can then be saved as a separate file, and entered
into Amass as a new structure.
In order to do this, first make sure that the structure you want to
translate is the one currently displayed in the Amass window.
Once that is done, select "Alter File" from the Amass menu.
In your xterm window, Amass will query you for a name for the new
datafile. If you enter the name "cancel", the operation will be
aborted. Otherwise, Amass will use the name you input to save the
new datafile.
Enter the translation factors in the X, Y, and Z directions respectively.
If you enter a positive value for any translation factor, it will have
the effect of adding that factor to the appropriate object coordinate
of each item in the original structure.
Amass will write the datafile, and then ask if you want to immediately
enter this new structure into Amass. If you type "y", Amass will query
you for a structure number to enter it as. If you type "n", nothing
further will be done. The saved structure can then be entered manually
following the directions for entering a saved datafile.
At this point, you may choose to enter a
motion file,
and carry out runs using this, or any other structure.
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