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.
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)
