Software List
Data Collection and Processing
- CrystalClear Local Manual
- DPS (V2.02, X-ray data reduction and processing) Web, Local Manual
- HKL2000 Web, Local Manual
- Mosflm (Data integration with 3D-profile fitting) Web, Local Manual
Structure Determination
- AMoRe - Molecular replacement Local Manual
- ARP/wARP (Automated Refinement and Chain Tracing) Web, Local Manual
- BnP (Combines SnB and PHASES) Web, Paper
- CCP4 (Collaborative Computing Project) Web, Local Manual
- CNS (Crystallography and NMR system) Web, Local Manual
- EPMR (Molecular replacement by evolutionary search) Local Manual
- MAID (Assistant Electron Density Map Automated Tracing) Web, Local Manual
- MOLREP (molecular replacement program) Web, Local Manual
- phases (Phasing package, from Swami) Manual
- SHARP (Statistical Heavy- Atom Refinement and Phasing) Web, Local Manual
- SHELX (direct methods, heavy atoms search, and refinement) Web, Local Manual
- SnB (A Direct-Methods Procedure for Determining Crystal Structures) Web, Manual
- SOLVE/RESOLVE (Heavy atoms and MAD phasing package) Web, Local Manual
- USF (Uppsala Software Factory) Web, Manual
Structure Fitting
- Turbo-Frodo Web, Local Manual
- O Web, Manual
Structure Quality
- AQUA (NMR model verification program) Web, Manual
- Procheck (Stereochemical quality analysis software) Web, Manual
- SFCHECK (Assessment between Structure Factors and models) Web, Local Manual
- WHATIF Web, Manual
Visualization
- Bobscript (for Molscript) Web, Local Manual
- Deep View Web, Manual
- MOLSCRIPT (Molecular rendering) Web, Local Manual
- PyMOL (Python-based extensible molecular graphics program) Web, Local Manual
- Rasmol (Molecular visualization) Web, Local Manual
- Raster3D (High-Quality 3-D rendering) Web, Local Manual
Modeling
- Amber (molecular dynamics simulations) Web, Local Manual
- DSSP (Kabsch and Sander Secondary Structure Assignment) Web, Local Manual
- ESPript (interface for visualization of secondary structure) Web, Local Manual
- DOCK Web, Local Manual
- FTDOCK Web, Local Manual
- GRASP (Graphical Representation and Analysis of Structural Properties) Web, Local Manual
- JNET (secondary structure prediction) Web, Local Manual
- HBPLUS (hydrogen bonds building, for LIGPLOT) Web
- LIGPLOT (ligand plot for a PDB file) Web, Local Manual
- Liged (Java applet for ligand editing) Local Manual
- MAGE (3D Macromolecule Analysis) Web, Local Manual
- MODELLER (Comparative Protein Structure Modeling by Satisfaction of Spatial Restraints) Web, Local Manual
- MSP (Molecular Surface Package) Web, Local Manual
- Ribbons (Molecular graphics software) Web, Local Manual
- PHD (secondary structure prediction) Web
- PROSPECT (prediction by threading toolkits) Web
- THREADER (Homolog structure prediction) Web , Local Manual
- TOPS (Topological cartoon computing) Web