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APPENDIX 11 - TYPING MENU COMMANDS


In this Appendix details are provided on how to type certain menu commands and thereby speed up the construction of search fragments. These features are recommended to users who have considerable experience in the "normal" use of the menu system.

The following topics will be discussed:

11.1 The Current Element

In the BUILD menu, the eight most common elements are available directly and the remainder can be accessed in the PERIODIC-TABLE by selecting the OTHER option.

Likewise, the GROUPS sub-menu contains 26 commonly occurring structural groups, each identified by a 2-letter abbreviation, eg. TF for the trifluoromethyl group.

Changing the current element by moving to the PERIODIC-TABLE or GROUPS sub-menus can be avoided by appropriate typing, as shown in the following examples:

Ex.1

Ex.2

Note that that you can type the new current element symbol in either upper- or lower-case or a mixture of both.

11.2 Element Symbols and Group Symbols

Quite often a search fragment will be composed mainly of the common elements but it may contain an uncommon element or functional group. The time taken to invoke the PERIODIC-TABLE or GROUPS sub-menus can be saved by appropriate typing, leaving the current element unchanged.

Two techniques are available for this procedure, depending upon which terminal and device you are using:


Ex. Suppose you are using a Tektronix 4100 Series terminal and you wish to place a sulfonate group in the fragment being constructed in the BUILD menu.

11.3 Bond Types

The techniques used for typing bond type values are the same as for element symbols and group symbols, with respect to terminal type and device - see 11.2 above.

Ex. Suppose you are using a Tektronix 4100 Series terminal and suppose you have already constructed the fragment C-C-N
Suppose N is the active atom, the current element is N and the current bond type is SING.

The bond type numbers corresponding to the bond type options in the BUILD menu are:

            SING  1           AROM   5
            DOUB  2           POLY   6
            TRIP  3           DELOC  7
            QUAD  4           PI     9

11.4 Combined Element/Group Symbols and Bond Types

The features described in 11.2 and 11.3 can be combined.

Ex. Suppose you are using a Tektronix 4100 Series terminal and suppose you have already constructed the fragment C-C-N
Suppose N is the active atom, the current element is N and the current bond type is SING.

Note that the same result could be obtained by typing: s 2 <R>
Thus both sequences of bond type and element/group symbol are acceptable.
Also no distinction is made between upper- and lower-case.

11.5 Terminal Hydrogen Atoms and Charges

The features described in 11.2-11.4 can be extended to cover the typing of the number of attached terminal hydrogen atoms, also charges.

Ex.1 Suppose you are using a Tektronix 4100 Series terminal and suppose you have already constructed the fragment C-C-N
Suppose N is the active atom, the current element is N and the current bond type is SING.

Ex.2 Suppose you are using a Tektronix 4100 Series terminal and suppose you have already constructed the fragment C-C-N
Suppose N is the active atom, the current element is N and the current bond type is SING.

This example illustrates the fact that if the number of H atoms is not specified then the default value of 1 is assigned.

Ex.3 Suppose you are using a Tektronix 4100 Series terminal and suppose you have already constructed the fragment C-C-N
Suppose N is the active atom, the current element is N and the current bond type is SING.

11.6 Templates

The TEMPLATES sub-menu contains 20 template sets providing 168 individual templates which can be used in building a search fragment. In addition it also contains the FELDMANN option for quickly constructing fused ring systems.

If you use certain templates very frequently then it is quicker to type the appropriate commands.

The examples shown below are valid for Tektronix 4010/4014 and all 4100 Series terminals.

If you are using a Tektronix 4200 Series terminal or Silicon Graphics console, then you need not type the leading !

Ex.1

This example shows that you can type the template set number followed by the individual template number.

If you were to type !TEMP 48A <R> then template set 48A would be displayed.

Instead of typing !TEMP you could type !TEMPLATES or, in fact, the minimum number of characters to define the command uniquely, in this case !TE Ex.2

This example illustrates the use of one of the four templates which have no set number. These must be identified by name, eg. SOLV.

Currently the SOLVATES template set contains 14 individual templates. If you specify an individual template number greater than 14 then you will be alerted to this error:

Ex.3 This example illustrates the typing of the Feldmann notation to generate a steroid skeleton.

If you type an incorrect Feldmann instruction you are warned:

11.7 Menu Options

In each of the menus you can type a command, specifying the minimum number of characters to define the command uniquely.

The examples shown below are valid for Tektronix 4010/4014 and all 4100 Series terminals.

If you are using a Tektronix 4200 Series terminal or Silicon Graphics console, then you need not type the leading !

Ex.1 Suppose you have constructed 2 rings in the BUILD menu and you wish to fuse them.

In this example two characters FU are required to uniqely define the command.

The single character F in the BUILD menu could correspond to either FUSE or FASTQUEST.

If you type FO rather than FU then you are alerted to this error:

Ex.2 Suppose you have constructed a fragment and wish to shift its position in the EDIT menu.

11.8 Moving between Menus

The features illustrated in 11.7 can be extended to moving between menus.

The example shown below is valid for Tektronix 4010/4014 and all 4100 Series terminals.

If you are using a Tektronix 4200 Series terminal or Silicon Graphics console, then you need not type the leading !

Ex. Suppose you have constructed a fragment in the BUILD menu and wish to centre it in the drawing area using the CENTRE command of the EDIT menu, then return to the BUILD menu.


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