1.1 – PLATON Tool – Command Line Invocation Shortcuts
A number of shortcut instructions are available that can be invoked as options on the start-
up instruction of PLATON in a terminal window. The generated (equivalent keyboard)
instructions are given in []. See
Chapter 2 for details about those instructions.
- - No data from file Read (Switch to I/O from window/keyboard)
-a - ORTEP/ADP
[PLOT ADP COLOR]
(
Sec-1.3.1.2)
-b - CSD-Search
[CALC GEOM CSD]
(
Sec-1.3.6.12)
-c - Calc Mode
[CALC]
(
Sec-1.3.2.1)
-d - COMPARE
[]
(
App-VIII)
-e - MULABS
[MULABS]
(
Sec-1.3.5.1)
-f - HFIX
[]
(
Sec-1.3.2.15)
-g - GenRes-filter
[CALC GEOM SHELX]
(
Sec-1.3.7.12)
-h - HKL-CALC
[ASYM GENERATE]
(
Sec-1.3.7.5)
-i - Patterson PLOT
[CONTOUR PT TN]
-
-j - SPF-filter
[CALC GEOM EUCLID]
(
Sec-1.3.7.11)
-k - HELENA
[]
(
App-VII)
-l - ASYM VIEW
[ASYM AVF VIEW]
(
Sec-1.3.6.2)
-m - ADDSYM
[CALC ADDSYM]
(
Sec-1.3.4.1)
-n - ADDSYM
[CALC ADDSYM SHELX NOSF]
(
Sec-1.3.4.5)
-o - Menu Off
[]
-
-p - PLUTON Mode
[]
(
Sec-1.3.1.15)
-q - SQUEEZE
[CALC SQUEEZE]
(
Ch-5)
-r - RENAME (RES)
[]
(
Sec-1.3.7.9)
-s - SYSTEM-S
[]
(
Ch-10)
-t - TABLE Mode
[TABLE]
(
Sec-1.3.6.9)
-u - Validation Mode
[VALIDATION]
(
Sec-1.3.6.1)
-v - SOLV Mode
[CALC SOLV]
(
Sec-1.3.3.1)
-w - Diff. Map Plot
[CONTOUR DI TN]
(
Sec-1.3.1.7)
-x - Fo-Map Plot
[CONTOUR FO TN]
(
Sec-1.3.1.8)
-y - SQUEEZE-Map
[CONTOUR SQ TN]
(
Sec-1.3.3.5)
-z - WRITE IDENT
[]
-
-A - PLATON/ANIS
[]
(
Sec-1.3.7.8)
-
B
-
BIJVOET
[BIJVOET]
(
Sec-1.3.6.6)
-C - GENERATE CIF
[TABL ACC]
(
Sec-1.3.7.13)
-D - Diff.Dens.Map
[CALC DIFF]
(
Sec-1.3.6.4)
1.2 -
Overview of the Tools Available from the PLATON Menu
This section gives a one line info on the function of an entry in the PLATON main menu
(
Fig. 0.1-1). Numbers in () refer to sections where more details on the tool can be found.
1.2.1 - Graphics Tools
PLUTON-auto
(1.3.1.1) Ball-and-Stick molecular graphics (auto) - PLUTO style
ORTEP/ADP
(1.3.1.2) Display of Atomic Displacement Parameters – ORTEP style
NewmanPlot
(1.3.1.3) Plot Series of Newman projections
Ring-Plots
(1.3.1.4) Display of projections on ring planes
PlanePlot
(1.3.1.5) Display of projections on molecular planes
Polyhedra
(1.3.1.6) Analysis and display in terms of polyhedra
ContourDif
(1.3.1.7) Contoured difference electron density map
Contour-Fo
(1.3.1.8) Contoured electron density map
AutoMolFit
(1.3.1.9) Automatic fit of two identical molecules
HKL2Powder
(1.3.1.10) Simulated powder pattern based on h,k,l,I data
SimPowderP
(1.3.1.11) Simulated Powder pattern based on model
RadDistFun
(1.3.1.12) Radial Distribution Function based on model
Patterson
(1.3.1.13) Patterson map peak list
PLUTONativ
(1.3.1.15) Native version of PLUTON (identical to
platon -p)
1.2.2 – Geometry Tools
Calc ALL
(1.3.2.1) Listing of Intra, Inter and Coordination Geometry
Calc Intra
(1.3.2.2) Listing of intra-molecular Geometry
Calc Inter
(1.3.2.3) Listing of Inter-molecular Geometry
Calc Coord
(1.3.2.4) Listing of Coordination Geometry
Calc Metal
(1.3.2.5) Listing of Metal-Metal Geometry
Calc Geom
(1.3.2.6) Limited Intra-molecular Geometry Listing
Calc Hbond
(1.3.2.7) Hydrogen Bond Analysis
Calc TMA
(1.3.2.8) Displacement Parameter Analysis
L.S.Plane
(1.3.2.9) Interactive Least Squares Plane Calculation
DihedAngle
(1.3.2.10) Interactive Calculation of the angle between 2 Planes
AngleLines
(1.3.2.11) Interactive Calculation of the Angle between 2 Lines
AngLsplLin
(1.3.2.12) Interactive Calculation of the Angle between a Line & Plane
CremerPopl
(1.3.2.13) Interactive Cremer & Pople Puckering Analysis
BondValenc
(1.3.2.14) Valence Bond Analysis
HFIX – RES
(1.3.2.15) Interactive addition of hydrogen atoms (SHELXL HFIX)
1.2.3 – VOID and FLIPPER Calculations
Calc Solv
(1.3.3.1) Calculate Solvent Accessible Volume
Calc K.P.I
(1.3.3.2) Calculate Solvent Accessible Volume + K.P.I.
SQUEEZE
(1.3.3.3) Handle Disordered Solvent Contribution to Structure Factors
CALC-FCF
(1.3.3.4) Add Disordered Solvent Contribution to Structure Factors
Contour-SQ
(1.3.3.5) Contoured Difference Density Map of Void Areas