Volume 2 Chapter 3 3D-Constrain Sub-menu MANUAL MODE

Function

MANUAL-MODE allows keyboard input of geometrical instructions, each instruction being terminated by <R> and finally terminated by END <R> to return to the graphical interface.

Remarks

MANUAL-MODE can be combined with the graphical input of geometrical instructions. This means that you can use MANUAL-MODE for one instruction, several instructions or all instructions.

However, it should be stressed that use of this command requires considerable familiarity with the syntax of geometrical instructions. For users with extensive experience of GSTAT this facility can be faster than the input of geometrical instructions using the sub-menu commands.

Example

Select MANUAL-MODE

*MANUAL-MODE* Type correct geometrical commands & finish by typing
END

Type SETUP X1 2 3 <R>
Type DEFINE TAU1 5 4 1 X1 <R>
Type END <R>

As each instruction is typed the information is displayed, as usual, in the summary area.
When the 3D search formulation is complete and DEFINE-STRUCTURE has been selected then, for example:
Select TYPE in the BUILD menu

T1 *CONN
NFRAG   1
AT1 C 3                                            :XY   464   520
AT2 C 2                                            :XY   275   308
AT3 C 2                                            :XY   270   759
AT4 C 2                                            :XY   632   513
AT5 O 1                                            :XY   730   241
BO 1 2 1
BO 2 3 1
BO 1 3 1
BO 1 4 1
BO 4 5 2
GEOM
SETUP X1 2 3
DEFINE TAU1 5 4 1 X1
C OVERLAP OF CRYSTAL FRAGMENTS PERMITTED
C SEARCH FOR ALL CRYSTAL FRAGMENTS
NFRAG -99
ENANT NOIN
END

Back to Table of Contents

Volume 2 Chapter 3 3D-Constrain Sub-menu CONTACT .