Data processing

CCP4 Program Suite

HKL

MOSFLM

STRATEGY

XDS

CrysAlisᴾʳᵒ

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