Crystallography Software

Access user-submitted suggestions of websites related to macromolecular structure.

ARP/wARPA system for the refinement of protein structures via automatic updating and re-building of the model and solvent structure
BUSTERA software system containing crystallographic structure refinement using Bayesian statistical methods (BUSTER), ligand fitting (rhofit) and a fully automated pipeline (Pipedream) to drive a structure based fragment/ligand screening pathway.
CCP4A suite of programs covering all aspects of crystallographic structure determination, refinement and analysis
CNSA system for structure determination from crystallographic or NMR data
COOTCoot is for macromolecular model building, model completion and validation, particularly suitable for protein modelling using X-ray data.
MAINAn interactively driven suite of programs for molecular modeling, density modification, model refinement and structure analysis
OAn interactive system for building and manipulating models in electron density maps
PHENIXSoftware suite for automated determination using X-ray crystallography and other methods
REFMACMacromolecular refinement program
SHARPAn automated structure solution pipeline built around the heavy-atom refinement and phasing program SHARP, the substructure determination program SHELXD, the density modification program SOLOMON and the model building programs BUCCANEER and ARP/wARP. It allows fully automated structure solution by experimental phasing, from merged reflection data to an initial model, without any user intervention.
SHELXA set of programs for direct structure solution and refinement with high resolution diffraction data
SOLVEAn automated system for phase determination from MIR and MAD data
X-PLOR/CNXA program for structure determination from crystallographic or NMR data


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Last updated: 8/4/2021