Volume 2 Chapter 2 2D-Constrain Sub-menu TOTAL-COORD-NO
Back to Table of Contents
Function
The 3D-CONSTRAIN sub-menu, shown below, is accessed from the BUILD
menu.
It is used to apply 3D constraints to a search fragment.
Remarks
The commands available via the menu buttons are fully described in this
chapter, ordered alphabetically by command group and name. The functions of the
commands and command groups can be summarised as follows:
- EXHAUSTIVE to find all occurrences of the search fragment in an entry
- OVERLAP to allow overlap of atoms in occurrences of the search fragment
- SETUP commands to setup centroids, dummy points, vectors and planes
- DEFINE commands to define parameters
- TRANSFORM to define new parameters by transformation of old parameters
- SELECT to specify limiting values for a parameter
- SPHERE commands to specfy spheres of exclusion and inclusion
- ENANTIOMER commands to invert or not invert fragments to determine a hit or
not
- NON-BONDED commands to control intermolecular contact searches
- DEL-INSTRUCTIONS to delete instructions which have already been composed
- MANUAL-MODE to type instructions rather than use the graphical interface
- DEFINE-STRUCTURE to declare that the formulation of the search test is
complete
- SUMMARY to toggle the display of instructions in the summary area
- NUMBERS to toggle the display of atom numbers in the search fragment
- INSTRUCTIONS to toggle the display of graphical objects for geometric
instructions
Note that utility commands, such as CANCEL, REFRESH, etc. are discussed only in
menu chapters 1, 5, 6, 10.
Back to Table of Contents
Volume 2 Chapter 3 3D-Constrain Sub-menu ALL-ANGL.