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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