Software

    Data processing

    CCP4 Program Suite

    HKL

    MOSFLM

    STRATEGY

    XDS

    Phasing

    ARP

    MOLREP

    PHASER

    PHASES

    PHENIX

    SHARP

    SHELX

    SnB

    SOLVE

    Refinement

    CNS

    PHENIX

    REFMAC

    SHELX

    Molecular graphics

    CCP4 Molecular graphics

    COOT

    UCSF Chimera

    PyMOL

    RASTER3D

    Validation tools

    Biotech Validation Suite

    Molprobity – Gives all-atom contacts and structure validation for proteins and nucleic acids

    PDBsum – provides an at-a-glance overview of every macromolecular structure deposited in the Protein Data Bank (PDB), giving schematic diagrams of the molecules in each structure and of the interactions between them.

    What If

    Homology modelling

    Modeller

    Discovery Studio

    Docking and virtual screening

    Autodock Vina

    SeeSAR

    Discovery Studio