CIFtbx, CYCLOPS, cif2cif

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• Previous message: Herbert J. Bernstein: "pdb2cif version 2.3.3"

Version 2.5.3 of CIFtbx, Version 2.1.3 of CYCLOPS, and version 0.0.5 of cif2cif
are now available at the following URLs:

      http://ndbserver.rutgers.edu/NDB/mmcif/software
      http://www.ebi.ac.uk/NDB/mmcif/software
      http://ndbserver.nibh.go.jp/NDB/mmcif/software

CIFtbx2 (by S. R. Hall and H. J. Bernstein) is an extended tool box of
fortran routines for manipulating CIF data.

CYCLOPS2 (by S. R. Hall and H. J. Bernstein) is a fortran program for
checking STAR data names against data name dictionaries written in DDL-STAR
format proposed by Tony Cook of ORAC Ltd., Leeds.  Data names may be
checked in any text file.

cif2cif (by H. J. Bernstein, based on suggestions by S. R. Hall) is a
fortran program using CIFtbx2 to copy a CIF on standard input to an
equivalent CIF on standard output, while checking data names against
dictionaries and reformating numbers with esd's to conform to the rule of
19.

CHANGES

With this release, CIFtbx2, CYCLOPS2 and cif2cif are distributed as three
coordinated release kits.  Since all this code depends on CIFtbx, you must
install CIFtbx before installing CYCLOPS2 or cif2cif. If you don't need
CYCLOPS2 or cif2cif, you may leave them out, but they are good examples of
working CIFtbx applications, so we suggest taking a look at them if you are
new to CIFtbx.

CHANGES WITHIN CIFTBX2

The 2.5.3 release adds logic for minimal processing of "global_". The new
variable "glob_" is set true when a global is encountered. The variable
"globo_" may be set try to force "pdata_" to output a global section
instead of a
data block.  As with the save frame code, the global section code is a
minimal implementation sufficient to handle dictionaries which use global
sections.  This code is not intended to support use of global sections
within your CIFs.  A bug in the processing of a text block with characters
in the first line when the text block was the first value in a loop was
fixed. The code to change the quotation character on a string containing
that character was modified to
test only for the case of a blank following the character.

CHANGES WITHIN CYCLOPS2

Release 2.1.3 added the option "-p priority" to the command line, and
changed the handling to STARDICT to prevent opening of STARDICT if any
dictionaries are specified on the command line. The default list of tags to
be ignored was updated from the DDL0 list to the DDL1.4 list. The scan for
tags enclosed in parentheses, brackets or braces was made more robust.
Because of the changes in CIFtbx to handle global_, the current
dictionaries which use global_ are processed.

CHANGES WITHIN CIF2CIF

Version 0.0.5 (2 December 96) adds support for copying of global_ sections
and corrects a typo in the error message issued when the output CIF cannot
be opened.




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*   *       INFORMATION SYSTEMS CONSULTANTS
****     P.O. BOX 177, BELLPORT, NY 11713-0177
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**** *            Herbert J. Bernstein
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• Previous message: Herbert J. Bernstein: "pdb2cif version 2.3.3"