Tables for
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G. ch. 5.4, pp. 526-527

Section 5.4.3. Initialization commands

H. J. Bernsteina* and S. R. Hallb

aDepartment of Mathematics and Computer Science, Kramer Science Center, Dowling College, Idle Hour Blvd, Oakdale, NY 11769, USA, and bSchool of Biomedical and Chemical Sciences, University of Western Australia, Crawley, Perth, WA 6009, Australia
Correspondence e-mail:

5.4.3. Initialization commands

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Initialization commands are applied at the start of a program to set global conditions for processing CIF data. There are only two commands of this type. [Scheme scheme3]

init_ is an optional command that specifies the device number assignments for the input CIF devcif, the output CIF devout, an internal scratch file devdir and the file containing error messages deverr. The internal scratch file devdir is used to hold a copy of the input CIF as a direct-access file (i.e. for random access to parts of the CIF). init_ is a logical function that is always returned with a value of .true.. The default device numbers for these files are 1, 2, 3 and 6.

dict_ is an optional command for opening a dictionary fname and initiating various optional data checks, checks. The choices of checks to perform are given by a string of blank-separated five-character `check codes', such as valid or dtype, which turn on checking for the validity of tags or types of values, respectively. dict_ is a logical function which is returned as .true. if the named dictionary was opened and if the check codes are recognizable.

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