Software

• 3DNA - Structure Analisys software for analyzing and rebuilding 3-dimensional nucleic acid structures
   
• ARP/wARP - Software suite for improvement and objective interpretation of crystallographic electron density maps and automatic construction and refinement of macromolecular models
   

• BUSTER
   

• CCP4 - Program suite for Protein Crystallography
   
• CCP13 - Modelling/analysis of fibre diffraction and solution scattering
   
• Chooch - Determine f' and f'' from fluorescence scans (Linux, SGI)
   
• CNS - Flexible, multi-level, hierarchical program for the most commonly used algorithms in macromolecular structure determination
   
• C-PLOT - SPEC's plotting program
  User's manual (HTML)
  User's manual (PDF)
  Command Reference (PDF)
  Format Reference (PDF)
   

• DataViewer - Program for GSECARS (Advanced Photon Source) Microprobe, XRF MAPS, and XAFS data
• d*TREK
   

• EMBL - SAXS processing and modelling - protein oriented
   
• EPICS IOC Software
   

• FitIt - FitIt is a program for local structure refinement on the basis of X-ray absorption near edge structure fitting
• Fit2D - X-ray image processing and data extraction software
   

• GIMP - Graphics manipulation program
  Manual (PDF)
  Manual (HTML)
  Color Section of Manual (PDF)
  Color Section of Manual (HTML)
   
• GNU Octave 2.0 - High level language for numerical computations
  User's manual
   
• Gnuplot - Command-line driven plotting program
  Introduction to gnuplot (HTML)
  User's manual (HTML)
  User's manual (PDF)
   
• Grace - Menu-driven plotting program
  User's manual (HTML)
  Tutorial (HTML)
   
• GSAS - Structural modelling with single crystal and powder diffraction data
   

• HKL2000 - DENZO / SCALEPACK - A suite of programs for the analysis of X-ray diffraction data (XDisp/Denzo/Scalepack)
   

• Irena - SAXS processing and modelling
   

• LaTeX - Technical writing system
  LaTeX 2e Documentation (PDF) - Advanced reference
  Essential LaTeX (PDF) - Quick reference for beginners
  The Not Too Short Introduction to LaTeX 2e (PDF) - Tutorial for beginners
  LaTeX Symbols (PDF) - Symbol reference
   
• LaueView - Laue display and data processing package (SGI)
   

• MAIN - Program thet deals with computational parts of macromolecular crystallography in a progressively automated manner
   
• DPS/Mosflm - Analysis of X-ray diffraction data (SGI)
   
• MSI
   

• NIST SANS - SAXS/SANS data modelling
   

• O - General purpose macromolecular modeling environment
   
• O - (PCP)
   

• PHASES
   
• PREDICT - Optimize data collection strategy (SGI)
   
• PYTHON Library
   

• RESOLVE - Improves electron density maps for Solve (Linux, SGI)
   
• Rietica - Structural modelling with powder diffraction data.
   

• SAXS15id - SAXS data processing and analysis package
   
• SHADOW
   
• SHARP
   
• SHELX - Set of programs for crystal structure determination from single-crystal diffraction data
   
• SOLVE - Automated crystallographic structure solution for MIR, SAD, and MAD
   
• SPEC - Command line interface to beamline equipment
  User's manual (HTML)
  User's manual (PDF)
   

• XAFS (X-ray Absorption Fine-Structure Spectroscopy)
  IFEFFIT - Interactive XAFS Data Analysis SOftware
  XAFS Information - Tutorials, Workshops, Links
  XAFS Data Library - Archive of XAFS data on Model Compounds
  MCBOOK - The McMaster Tables
  Atoms.inp Archive - Archive of crystallographic data for ATOMS and FEFF
   
• XOP - X-ray oriented programs
   
• X-PLOR
   
• XtalView - Software package for fitting electron density maps and solving structures by MIR and MAD (SGI)
   

• Yorick - Interpreted scientific programming language