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Cameron ManualChapter 3: Data InputAt present data is read from CRYSTALS generated LIST5 files and CSSR files (see the CRYSTALS manual). [Top] [Index] Manuals generated on Wednesday 8 November 2006 3.1: Input of CRYSTALS List 5 filesThese files do not contain information on the dimensions of the unit cell. It is therefore necessary to use CELL to enter this information prior to the reading of the list 5 file. INPUT
CELL
The syntax of this sub-command is :-
INPUT CELL a b c alpha beta gamma
LIST5
This command requires as its argument the name of the file that contains
the atomic coordinates. The syntax is :-
LIST5 filename.L5
CSSR
CSSR files are input by using INPUT CSSR. As with LIST5 files above it is advisable to input the symmetry information before inputting the atomic coordinates. Related commands : OBEY, OUTPUT [Introduction | How To Get Started | Data Input | Outputting Data | Editing The Atom List | Obeying Files | Archiving And Retrieving Views | Graphical Output Devices | View Direction Control | Include And Exclude | Drawing Style Control | Connectivity Control | Control Of Colour | Atom Labelling | Other Picture Controlling Commands | Symmetry Input | Crystal Packing Commands | Add And Move - Further Symmetry Related Commands | Distance And Angle Calculations | Information On Data Held Within The Program | Group Definitions | Miscellaneous Commands | How To Stop The Program | Menu Definition File | Some Useful Ideas ] |
© Copyright Chemical Crystallography Laboratory, Oxford, 2006.
Comments or queries to David Watkin -
david.watkin@chem.ox.ac.uk Telephone +44 1865 285019.
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