Cameron Manual

Chapter 3: Data Input

3.1: Input of CRYSTALS List 5 files

At present data is read from CRYSTALS generated LIST5 files and CSSR files (see the CRYSTALS manual).

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3.1: Input of CRYSTALS List 5 files

These 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.

CELL The syntax of this sub-command is :-
INPUT CELL a b c alpha beta gamma

ie we require six arguments - cell dimensions in angstroms and angles in degrees. Their values are assigned as shown above.

LIST5 This command requires as its argument the name of the file that contains the atomic coordinates. The syntax is :-
LIST5 filename.L5

NB The LIST5 command will not be accepted without the previous command CELL.


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

© Copyright Chemical Crystallography Laboratory, Oxford, 2011. Comments or queries to Richard Cooper - Telephone +44 1865 285019. This page last changed on Wednesday 27 April 2011.