Ab initio protein modeling is performed using a variety of software. A Mac Pro graphics workstation contains all of the necessary crystallographic software.
Mac Pro graphics workstation
Uses
- Data processing with HKL2000
- Electron density fitting with the Coot program
- X-ray refinement with the Phoenix package
Specifications
- Equipped with stereo graphics and stereo glasses for 3-D visualization of macromolecular structures
Licensed software provided for 3D structure determination and analysis
Coot
A tool for macromolecular model building, model completion and validation, particularly suitable for protein modelling using X-ray data.
Coot displays maps and models, and allows model manipulations such as:
- Idealization
- Real space refinement
- Manual rotation/translation
- Rigid-body fitting
- Ligand search
- Solvation
- Mutations
- Rotamers
- Ramachandran plots
- Skeletonization
- Non-crystallographic symmetry and more
PHENIX
A software suite for the automated determination of macromolecular structures using X-ray crystallography methods.
CCP4
A suite of programs covering all aspects of crystallographic structure determination, refinement and analysis.
SHELX
A set of programs for direct structure solution and refinement with high-resolution diffraction data.
SOLVE
An automated system for phase determination from MIR and MAD data.
HKL2000
A tool for processing X-ray data collected by the Rigaku Saturn 944+ CCD detector.