Molecular Structure Laboratory Software and Other Links

Home | Facility | Personnel | Links | Policies | Data

 

 

 

Updated 20 August, 2007

Colleagues

Indiana University Molecular Structure Center

INEOS Structural Center

Kevin Cowtan at Univeristy of York has a good list of crystallographic links (books, programs, C++)

Martin Lutz at Utrecht University, The Netherlands

MIT Crystallographic facilities: Peter Mueller

The Collaborative Computational Project Number 4 in Protein Crystallography (CCP4)

Databases

Reciprocal Net

Cambridge Crystallographic Data Centre distributes programs such as Conquest, Mercury, enCIFer.

Links to several other databases are available from the Chemistry Library Page.

Education

The UW-Madison Chemistry Library has a good spectrum of links for X-ray Crystallography.

Interactive tutorial about diffraction

Links to books and references are available from the Chemistry Library Page.

Symmetry and Space Group Tutorial

Tips for crystal growing

Meetings

15th Bruker-Nonius CCD Users Group Meeting in Madison, WI, USA, September 16-18, 2007

The Inaugural Meeting of the Struchkov Prize Society titled "Structural methods in chemistry, biology and medicine", Chicago, IL, USA, August 10-13, 2007.

2008 American Crystallographic Association Meeting

Organization and Societies

International Union of Crystallography has recently released program publCIF that is exceptionally valuable in preparation of manuscripts for Acta Cryst. C and E: go to http://www.iucr.org/, select Acta Cryst. C, Author Services, How to Prepare Your Paper, publCIF.

American Crystallographic Association

British Crystallographic Association. (accessed 12/15/06)

European Crystallographic Association. (accessed 12/15/06)

Struchkov Prize Society

Links to several other organizations are available from the Chemistry Library Page.

Software

Bruker-AXS - Programs distributed by my favorite X-ray vendor.

Coot - A new excellent Crystallographic Object-Oriented Toolkit for macromolecular refinement.

Other software.

PLATON. A versatile crystallographic program implementing a large variety of standard geometrical calculations, tests, utilities, graphics and several filters.

ROTAX for Windows twinning software (Determine Twin Matrix from Fo/Fc Data) by Simon Parsons and Bob Gould.

SHELXTL The latest versions of the software written by Prof. George Sheldrick are available with the password. The public domain SHELX package programs are also available.

Vendors

Bruker-AXS, Hamptom Research, CryoIndustries, MiTeGen, Oxford Cryosystems, Oxford Diffraction, Rigaku