Research: Shared Services
X-ray Crystallography: Useful Links
Crystallization
- BMCD Biological Macromolecule
Crystallization Database
- CRYSTOOL
Computing of efficient screening conditions
- Hampton Research Crystallization
products
Data Processing
Phasing Packages
- CCP4 Collaborative Computational Project,
Number 4 (software suite)
- CNS Crystallography & NMR
System
- Phases Package
of computer programs designed to compute phase angles for diffraction data
from macromolecular crystals
- PHENIX Python-based Hierarchical
ENvironment for Integrated Xtallography
- REPLACE
Molecular replacement package
- SHARP Statistical Heavy
Atom Refinement and Phasing, includes density modification and auto-tracing
- Shelx Software suite for
heavy atom location and high-resolution refinement
- Shake-and-Bake Dual-space
direct-methods procedure for determining crystal structures
- SOLVE Automated crystallographic
structure solution for MIR, SAD, and MAD
- XtalView Crystallographic
software package for fitting electron density maps and solving structures
by MIR and MAD
Refinement
- Bias Removal Server Bias removal and
map improvement
- CCP4 Collaborative Computational Project,
Number 4 (software suite)
- CNS Crystallography & NMR
System
- PHENIX Python-based Hierarchical
ENvironment for Integrated Xtallography
- Shelx Software suite for
heavy atom location, phasing, and high-resolution refinement
- TNT Least-squares
structure refinement
- X-PLOR Structure determination
and refinement
Structure Modeling
- BobScript MolScript
with electron density functionality
- Coot Model building
with real-space fitting
- GLR Graphical
interface integrating Bob/MolScript, Raster3d, and POV-Ray for generation
of figures
- Hic-Up Server Database of ligand,
co-factor, etc. coordinates and topology files for O, CNS, X-PLOR, TNT
- MolScript Creates both detailed and
schematic pictures of molecular 3D structures, in particular proteins
- O Model building
- PRODRG Server Converts
coordinates for small molecules in PDB format to the following topology formats:
GROMOS, GROMACS, WHAT IF, CNS, O, SHELX, HEX and MOL2
- RasMol Model viewer
- VMD Molecular visualization
program for displaying, animating, and analyzing large biomolecular systems
using 3-D graphics and built-in scripting
- XtalView
Model building (Xfit program)
Structure Analysis
Tutorials
Synchrotrons
- ALS Advanced
Light Source
- APS Advanced Photon Source
- CHESS Cornell High Energy
Synchrotron Source
- NSLS National Synchrotron Light Source
- SSRL Stanford Synchrotron
Radiation Laboratory
This page was last updated on: July 15, 2008.