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Basic Operations

Reading from File

Input from a file is requested either by selecting the Read... entry from the File menu or by pressing Ctrl-R somewhere in the CACTVS Tree window. A file selector box appears which has a standard layout for reading. Presently, the only supported file format is the ASCII format CTX (Gasteiger's Clear Text File). The file must contain the two keywords /REACINFO and /REACLOG. If you use a reaction file generated by EROS7 with the option ,,MONO-MOLEC" the reaction tree can be visualized. The name of the loaded file is visible in the title until a new file is read or the canvas and the buffer are cleared.

Inspection of the reaction tree

Once you have read a file, the reaction tree will be displayed on the canvas. There are two possibilities to represent the molecules of each reaction. Either they can be represented with numbers (molecule numbers) or with small pictures showing the structure of the molecule (abbreviated with the word ,,image"). You can switch between these possibilities with the Show Numbers or Show Images radio buttons in the Display menu found in the ,,Menu Bar".

If you choose the image representation it is advisable to increase the main window. It can be resized by the standard window manager mechanism, i.e. drag on the corner or double click on the title in order to fill the entire screen.

With the six radiobuttons Show All H to Show No C in the Display menu you can select a representation mode for the carbon and hydrogen atoms of the zoomed molecular structures on the right-hand side. The configuration of these buttons has no effect on the representation mode of the images.

In order to zoom another reaction on the right side in the reactant and product area you have to click on the reaction arrows in the reaction tree. These arrows are highlighted in gold if the mouse is placed on the right spot. The molecule numbers of the zoomed reaction is then highlighted in yellow.

You can also display parameters of the active reaction by clicking on the Show Properties entry in the Display menu. A new window appears which can be moved to a desired position. It remains open and displays the data of the zoomed reaction until it is closed with the Dismiss button.

The properties that can selected are the entries in the CTX File under the keyword /REACLOG.

The Choose button is for selecting your preferred data. Click in the menu list on one or more properties and press the OK button.

The property window will be updated.


CACTVS Tree can print the canvas drawing in PostScript format. The print panel can be opened in the File menu with the Print command. The output is either diverted to a file as encapsulated postscript (.EPS) or directly sent to a printer. You can print the reaction tree with both numbers or images. As the background of the printed canvas is always white, the images are automatically redrawn for printing. Monochrome, greyscale and color output is supported depending on the printer used. Choose the right color mode in order to avoid conflicts which will appear when you try to print a color output to a monochrome printer.

Clear All

In order to clear the canvas and the buffer you can either click on the Clear All entry in the Edit menu or press CTRL-X. This function is automatically executed when you read a file, that means you can never display more than one reaction tree.


The About CSTree command in the Help menu displays an information box.

Its Send Bug / Comments button opens another panel with a text field. Please feel free to type some sentences describing bugs and problems, or mail comments and enhancement requests. The destination mail address is

The text sent is automatically augmented with information about the CACTVS Tree version, tkserver version and operating systems you are running. It is not necessary to supply this information manually.

The Online help command in the Help menu displays this manual in the Netscape Browser.

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