Bijvoet centre for biomolecular research, vakgroep kristal- en structuurchemie, university of utrecht



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9.3 PLATON - ANALYSE Menu

 

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Chapter. 9.3  PLATON

1

Chapter 9.3



P L A T O N

This is a preliminary Introduction to

the program. See the Platon website

at

http://www.cryst.chem.uu.nl/platon

for up-to-date program information.

A.L.SPEK,

BIJVOET CENTRE FOR BIOMOLECULAR RESEARCH,

VAKGROEP KRISTAL- EN STRUCTUURCHEMIE,

UNIVERSITY OF UTRECHT,

PADUALAAN 8, 3584 CH UTRECHT,

THE NETHERLANDS.



9.3 PLATON - ANALYSE Menu

 

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




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