chem cryst
X-ray Crystallography
University of Oxford
chem cryst news
Amber Thompson has written a brief Guide to help new users migrate from SHELX to CRYSTALS. This can be found on the HELP menu.
Bob Carruthers worked with John Rollett and Keith Prout to produce the core data management and crystallographic subroutines upon which CRYSTALS is built. It was his vision and meticulous attention to detail which provided a kernel which still works well after 40 years of change in computing technology.
University of Oxford Chemical Crystallography Laboratory
The Chemical Crystallography Laboratory is located in the basement of the new Chemistry Research Lab on the corner of South Parks Road and Mansfield Road. The laboratory contains state of the art crystallographic diffraction equipment, laboratory space for sample preparation, office space for computational and theoretical work.
The Structure Analysis Service is run by Amber Thompson, who
has recently joined us from Judith Howards lab in Durham.
Members of other groups within Chemistry
are encouraged to do their own
structural analyses, and space, computers and patient tuition
are available for them in the laboratory.
David Watkin's group
currently consists of two Post Docs (James Heastier & Mustapha Sadki)
and an emeritus professor (Terry Willis).
The Chemical Crystallography Laboratory has a long history of involvement
in software development. Our software, CRYSTALS
(for single crystal X-ray structure refinement and analysis)
is used world wide, and is available free of charge to not-for-profit
users.
The internal data-structure of CRYSTALS has now (after 30 years)
reached its limits, so that major developments to the program have
become increasingly difficult.
Non the less, minor enhancements and
bug-fixes are possible,
so that the program could be maintained until
Age Concern comes on-line.
We are now engaged in a project to transfer the knowledge encoded in
CRYSTALS (and other programs) into a modern software setting - the
Age Concern project - in collaboration with Durham.
[Home | Crystals | Research | Contact | Lectures | Links | Gallery | | CSD | Chemistry Dept | University of Oxford ]
