Volume 2 Chapter 1 Build menu FELDMANN NOTATION

Feldmann Notation

The notation developed by R. J. Feldmann (NIH, USA) provides a very useful short-cut for the building of fused ring systems.

It is best explained with reference to some examples.

Select FELDMANN

Enter Feldmann notation (e.g. 66U6D5)
(Just press <RETURN> to return to BUILD menu.)

Type 6666 <R>

The program now prompts you to select the position of the centre of the added structure in the drawing area:

Please use cursor to select the CENTRE of the template in the
drawing area.
Select "CANCEL" if you don't want a template

Fragment (i) is generated.

In this algorithm the normal development direction of a fused ring system is horizontal, from left to right. Each ring size is denoted by the appropriate numeral.

If we wish to change the development direction then we specify:

Um:: to rotate the direction by one ring angle anti-clockwise (up) and generate ring of size m
Dn:: to rotate the direction by one ring angle clockwise (down) and generate ring of size n.

The following diagrams show the successive (1, 2, 3, etc.) development directions of the fused ring systems.

Note that the Feldmann routine uses the current element type and the current bond type.

If the result of adding a Feldmann structure to the drawing area will be to exceed the maximum number of atoms or bonds allowed by the program, the following error message will be generated:

ERROR - Max. number of ATOMS (250) or BONDS (350) exceeded - FELDMANN failed

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Volume 2 Chapter 1 Build menu TEMPLATES WRITE-TEMPLATE .