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23 Non-interactive Molecular Line Drawings

The DRAW command allows a user to draw a molecule under the control of either one of two plotting programs. The command will produce files which can then be read by the MOLD or PLT2 plotting programs, which actually prepare the drawing. CONGEN also has a command for making space filling drawings of a molecule, see Sphere Drawing.

The program, PLT2, is provided as a support program, see Support. MOLD is an obsolete program, and is only available on backup tapes from Harvard.

When using PLT2, in addition to plotting the molecule, one can also plot atomic properties in a table on the molecule as well. One can either represent scalar quantities by varying the size of the circle drawn for each atom, or one can represent vector quantities by drawing vectors attached to each atom.

When using either plotting program, it is also possible to draw a portion of the molecule or only selected atoms. The commands for deleting data from the table are used to delete atoms from an atom table. This table is then used to determine which atoms should be plotted. When atoms are deleted, one can specify an option to this command causing it to relink all atoms which previous had a chain of bonds connecting them.