WinGX v1.64
Chapter. 9.3 PLATON
2
1. INTRODUCTION TO PLATON .................................................................................................................... 4
1.1 C
OORDINATE DATA INPUT STANDARDS
......................................................................................................... 4
1.2 R
EFLECTION
DATA FORMAT
.......................................................................................................................... 4
1.3 M
ENUS AND MOUSE CLICKING
...................................................................................................................... 4
1.4 I
NTRODUCTORY TUTORIAL
............................................................................................................................ 5
1.5 A
NALYTICAL ABSORPTION CORRECTION
....................................................................................................... 6
1.6 R
ECIPROCAL
LATTICE SYMMETRY
................................................................................................................. 6
1.7 P
ROGRAM
PLUTON ..................................................................................................................................... 6
1.8 W
INDOW
M
ENU
............................................................................................................................................ 6
1.8.1 PLATON ............................................................................................................................................... 6
1.8.2 PLUTON............................................................................................................................................... 6
1.9 H
ARD
-
COPY GRAPHICS
.................................................................................................................................. 7
1.10 R
AY
-
TRACED MOLECULAR GRAPHICS
......................................................................................................... 7
1.11 P
RINTING
.................................................................................................................................................... 7
1.12 CIF-
VALIDATION
........................................................................................................................................ 7
1.13 M
ISCELLANEOUS
......................................................................................................................................... 7
2. ON THE INTERNAL WORKINGS OF PLATON ....................................................................................... 7
3. SUMMARY OF KEYBOARD COMMANDS FOR PLATON .................................................................... 8
3.1 I
NSTRUCTIONS PRECEDING ALL CALCULATIONS
............................................................................................ 9
3.2 C
ALCULATIONS
........................................................................................................................................... 10
3.3 P
LOTS
......................................................................................................................................................... 12
3.4 G
ENERAL INSTRUCTIONS
............................................................................................................................. 13
4. OTHER OPTIONS IN PLATON .................................................................................................................. 14
4.1 C
ELL TRANSFORMATION
............................................................................................................................. 14
4.2 T
RANSFORMATION OF HKL AND
SHELX
STYLE DIRECTION COSINES
.......................................................... 15
4.3 C
OLOUR
O
PTIONS IN
PLUTON................................................................................................................... 16
4.4 VOID & SOLV
CALCULATIONS
................................................................................................................. 16
4.5 ASYM-VIEW ............................................................................................................................................ 17
4.6 LEPAGE -
METRICAL SYMMETRY CHECK
................................................................................................... 18
4.7 T
ECHNIQUES FOR ABSORPTION CORRECTION IN
PLATON .......................................................................... 18
4.8 MULABS - B
LESSING
'
S METHOD FOR ABSORPTION CORRECTION
............................................................... 18
4.9 P
SI
-
SCAN BASED ABSORPTION CORRECTION
................................................................................................ 19
4.10 X
TAL
-P
LOT
............................................................................................................................................... 19
4.11 R
ESIDUE
N
UMBERS IN
PLATON
AND
PLUTON ...................................................................................... 19
4.12 A
TOM RENAMING IN
PLUTON (.
RES FILES
).............................................................................................. 20
4.13 D
EFAULT INSTRUCTIONS FOR
PLUTON.................................................................................................... 20
4.14 G
RAPHICS
(M
ETA
, POVRAY, RASMOL) ............................................................................................... 20
4.15 O
UTPUT
L
ISTINGS
.
LIS
& .
LPS
(P
RINT
& V
IEW
)......................................................................................... 21
4.16 PLATON M
AIN
-M
ENU
O
PTIONS
.............................................................................................................. 21
4.17 PLATON/ORTEP (S
UB
) M
ENU
O
PTIONS
................................................................................................ 21
PLATON/ORTEP SUB-MENU.................................................................................................................... 23
4.18 PLATON
AND
CSD-FDAT
FILES
............................................................................................................ 23
5. TERMS AND NOTIONS .............................................................................................................................. 23
5.1 T
HE N
.
IJK SYMMETRY OPERATION ON INPUT
............................................................................................... 23
5.2 D
ISORDER
................................................................................................................................................... 24
5.3 M
OLECULES AND
R
ESIDUES
........................................................................................................................ 24
6. PARAMETER FILES .................................................................................................................................... 24
6.1 T
HE
SPF
FORMAT
....................................................................................................................................... 24
7 SPACE GROUP SYMMETRY ...................................................................................................................... 26
7.1 S
PACE GROUP NAMES KNOWN TO THE PROGRAM
......................................................................................... 28