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CRYSTALS manual
University of Oxford

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 -Cameron Manual
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
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chem cryst news

5 June 06 >> CRYSTALS Version 12.84 replaces 12.83.
Arie van der Lee has implemented a Archive/Restore facility in Cameron. As usual, more small cif enhancements (thanks to Bill Clegg). Improved hydrogen prediction on methyls, thanks to Simon Parsons complaining about the old method. List of fixes.
21 Jan 06 >> IUCr Computing Commission Newletter No 5 . contains an article comparing facilities in CRYSTALS, SHELXL and SIR
21 Jan 05 >> Richard Cooper has moved to Oxford Diffraction.
11 Oct 04 >> An updated CRYSTALS wiki is available. [Recent Changes].
05 Jul 05 >> Updated manuals are now available as PDF files. These files are not generated automatically, but reflect the manuals as of 5 July 2005. Contact the authors if you require a slightly updated version.
20 July 04 >> An article has been published in J. Appl. Cryst giving details of the refinement of atoms continously disordered along a line, on a ring, or on the surface of a sphere (the "special shapes" facility in CRYSTALS).
2 July 04 >> The X-ray crystallographic structure analysis software CRYSTALS is being distributed from our website at an ever increasing rate, which has now risen to more than 6000 downloads a year... more....
18 Feb 04 >> A couple of photos of the diffraction equipment in its new home. In addition, Karl Harrison has made some 360° panoramas from various locations in the building, including the diffraction suite (basement of the office building).
Other news >> Details of crystallographic meetings, jobs, and developments are available on the IUCr notices page.


Cameron Manual

Chapter 4: Outputting Data

OUTPUT

CAMERON outputs data in CRYSTALS LIST5 and CSSR format.

LIST5 This outputs a crystals list5. It must be followed by a filename. The list5 will contain LIST1 unit cell information at the end - such a file can be re-read by CAMERON with no problem.
CSSR
FRACT
ORTH These subcommands are needed to specify the coodinate type for the CSSR file ie orthogonal or fractional. The command is followed by the filename of the output file. 
 Example:
 OUPUT CSR FRACT mydata.css


Related commands : INPUT

[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 ]

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© Copyright Chemical Crystallography Laboratory, Oxford, 2006. Comments or queries to David Watkin - david.watkin@chem.ox.ac.uk Telephone +44 1865 285019. This page last changed on Wednesday 8 November 2006. The website was re-generated on Wednesday 8 November 2006. Choose your nearest mirror for faster access: [ Original | CCP14 UK Mirror | CCP14 Canadian Mirror | CCP14 USA Mirror | CCP14 Australian Mirror ]
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