Xtal History

Versions of the Xtal System

  • Xtal3.7.2 Apr 2003 (twelfth edition; html manual)

    EXPAND Expand and contract atom site lists by both symmetry and cell translations
    STARTX Rewritten for Synch radiation using Satoshi Sasaki's tabulated data, in CIF form.
    POWGEN Calculates powder pattern from single crystal data (badly).
    OUTSRC Attempts to write SHELX .ins and VALRAY .dat and XD .mas files.
    SHELIN Tries to read an externalised SHELX .ins file and .hkl files
    MAPXCH Tries to read in Wien2k/lapw_3D format map and ABINIT maps for contouring
    CROMAN Attempt to derive atomic form factors from theoretical densities.
    ISURF Exploratory venture into 3D electron density maps (standalone).
    tklib modified to support dynamic tcl/tk library linking, via env variable.

Previous distributions

  • Xtal3.7.1 Apr. 2001. A bug fix release

  • Xtal3.7 Apr. 2000. (eleventh edition; html manual)

    Tcl/Tk based graphics interface under MS windows and unix. POWGEN powder pattern graphics ADDPAT add powder pattern to archive

    Released under the GNU general public license as open source software.

  • Xtal3.6.1 Aug. 1999 (Tenth edition; html version)

    CRILSQ: Streamlined least squares

  • Xtal3.6 Mar. 1999 (Tenth edition; html version)

    Differs from 3.5 with the addition of new programs: CRISP: Automated structure solution SHAPE: Patterson map analysis PREABS: Crystal shape viewer GIP: Reciprocal space viewer PREPUB: CIF check subroutines The PIG program now supports click and drag molecular rotation etc.

  • Xtal3.5 Apr 1997-98 (9.5 edition last CD distribution)

  • Xtal_GX May 1997-98 (second free Xtal subsytem)

  • Xtal3.4 Feb 1996-97 (ninth edition -last printed manual)

  • Xtal_GX Nov 1995-97 (first free Xtal subsystem)

  • Xtal3.2 Sep 1992-95 (eighth edition)

  • Xtal3.0 Jun 1990-92 (seventh edition)

  • Xtal2.6 Apr 1989-90 (sixth edition)

  • Xtal2.4 Mar 1988-89 (fifth edition)

  • Xtal2.2 Mar 1987-88 (fourth edition)

  • Xtal2.0 Mar 1986-87 (third edition)

  • Xtal1.5 Mar 1985-86 (second edition)

  • Xtal1.0 Dec 1983-85 (first edition of Xtal manual)

  • XRAY76 1976

  • XRAY72 1972