Statistical Descriptors in Crystallography

X-ray Diffraction Resources & Information

Teaching and Education in Crystallography

The Phase Problem


Herbert Hauptman

Shake and Bake Home Page

Computational Crystallography (using Shake and Bake)

DLS-76 Manual for Crystallographic Refinement


Software for cristallography

Xtal3.2 software package for small molecule and macromolecular crystallographic calculations ( German version)
see also The Xtal_GX freeware system

XtalView/Xheavy methods

The O WWW Home Page
``This is the official WWW server for users of the O protein crystallographic package''

The X-ray menu (XRAY) from WHAT IF


Cambridge Crystallographic Data Centre

Inorganic Crystal Structure Database (ICSD)

Metals Crystallographic Data File (CRYSTMET)

Data and Databases for Crystallography

A Dictionary Description Language for Macromolecular Struture

What is CIF? A Gentle Introduction
``This page introduces CIF - Crystallographic Information File - which is a data representation used by several disciplines (predominantly crystallography) concerned with molecular structure.''

VRML - Virtual Reality Modeling Language


Center of Applied Molecular Engineering Salzburg (Sippl et al.)

Department of Structural Biology and Crystallography Jena (Hilgenfeld et al.)

Lawrence Livermore National Laboratory

Molecular Structure Laboratory SUNY Stony Brook

Department of Crystallography, Birkbeck College

Lists of Links

Crystallography Resources on the Internet

Crystallographic Servers

Crystallography World Wide

International Union of Crystallography



X-Ray WWW Server

Crystallography Software for Free

Molecular Modeling, Crystallography from BioNetbook

NMR spectroscopy

Nuclear Magnetic Resonance (basics, principles,...)

Research of NMR Spectroscopy Group Utrecht

Vladimir Mandelshtam

Some of My Other Pages

Recent Papers and Preprints
Global Optimization
Protein Folding
Interval Methods
Mathematical Software
Computational Mathematics Links
Mathematics Links
Statistics Links
my home page (

Arnold Neumaier (