Crystallography Teaching Aids
Software and On-Line Resources
for Crystallography Education
Warning: Major changes are underway!
Summary: This site is intended for the nonspecialist in crystallography and describes how to assemble a functioning crystallographic software package for PC that can be used in an advanced undergraduate laboratory setting. Very sophisticated and powerful crystallographic software packages are available, but at a cost of several thousands of $. A reasonably powerful crystallographic computing package can be assembled, however, from free or low cost components, but requires a larger time investment. In addition to providing pointers to a variety of free/low-cost crystallographic programs and commercial software packages, this site will also describe how to assemble these components to produce a complete crystallographic package running under Linux or DOS.
Crystallographic Software / Crystallography under Linux / Crystallography under DOS
Other On-Line Resources/ Instructional X-ray Data Sets
This section contains information on free/low cost software that can be integrated into package and commercially available packages for structure determination on PC's.
Crystallography under
Crystallographic computing has traditionally been done on mainframe computers and UNIX workstations, only migrating to PC's
running DOS in recent years. The size and complexity of the programs, however, limits their
performance in a DOS environment. Linux is a copylefted (freely available) PC
clone of the UNIX operating system. The Linux operating system provides a high-performance,
multiuser, multitasking environment on your IBM PC for
improved crystallographic computing.
Setting Up a Linux System
Crystallographic Computing in Linux
General Linux Information and Links
An inexpensive crystallographic software package can be assembled easily under DOS.
While this package will not be as powerful or elegant as the Linux package, it will be
workable. Follow the link above to find out how...
Instructional X-ray Data Sets
Marcus R. Bond
Department of Chemistry
Southeast Missouri State University
Cape Girardeau, MO 63701
E-mail:
c499scc@semovm.semo.edu
Last modified December 5, 1996
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