Discussion List Archives

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

CIF 2.0 and Jmol

  • Subject: CIF 2.0 and Jmol
  • From: Robert Hanson <hansonr@xxxxxxxxxx>
  • Date: Thu, 1 Dec 2016 23:39:32 -0600
  • DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=stolaf.edu; s=stolaf;h=mime-version:from:date:message-id:subject:to;bh=CCx9a0fdUrQQNtFW2LsJHJbDvjcaGuMg3ZHXjJzAXd0=;b=cXDLv2CLHsoq1IQU0d6lgaHbeWEakbn63Z5NQS9L+/PWv/k3yRtUh3jdZWSee7KMH8K1jamvLfQiNkSsXkV1t0qlKGEZgWHB6eZDdGdfu9ZPnxGQX/F0o9nn5eR8rh6C8lVgLe1pOrw37uQp5rxsLpeg3cBBar7F7y0ZogchFRY=
I have just checked in a full implementation of CIF 2.0 in Jmol. Many thanks to John Bollinger for the great test suite. I am impressed by the foresight of the authors. The coding was quite simple, and it was a fun challenge to meet the specs.

Jmol.___JmolVersion="14.7.4_2016.12.01"

new feature: fully implemented CIF 2.0 reader

new feature: x = getProperty("cifInfo", "c:/temp/test.cif")
 -- reads CIF file data in structured format
 -- automatically uses CIF 1.0 or CIF 2.0, as needed.


In the end, what we have is a package that can convert CIF 2.0 records to JSON format if desired.

Java code (for Jmol and for transpiling to JavaScript for JSmol) for the CIF 2.0 parser is at

https://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol/src/org/jmol/adapter/readers/cif/Cif2DataParser.java

which subclasses the CIF 1 parser at

Bob Hanson



_______________________________________________
cif-developers mailing list
cif-developers@iucr.org
http://mailman.iucr.org/cgi-bin/mailman/listinfo/cif-developers

Reply to: [list | sender only]
International Union of Crystallography

Scientific Union Member of the International Council for Science (admitted 1947). Member of CODATA, the ICSU Committee on Data. Member of ICSTI, the International Council for Scientific and Technical Information. Partner with UNESCO, the United Nations Educational, Scientific and Cultural Organization in the International Year of Crystallography 2014.

ICSU Scientific Freedom Policy

The IUCr observes the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for Science.