CCP4: Structure Analysis roadmap

	CCP4 Roadmaps
	STRUCTURE ANALYSIS

ACT: Analyse coordinates
ANISOANL: Analyse anisotropic displacement parameters
AREAIMOL: Analyse solvent accessible areas
BAVERAGE: Averages temperature factor over main- and side-chain atoms
CAVENV: Calculate cavities in macromolecular structures
CONTACT: Computes various types of contacts in protein structure
DISTANG: Analyse distances and angles
DYNDOM: Determine dynamic domains when two conformations are available
FREERFLAG: Tag each reflection in an MTZ file with a flag for cross-validation
GEOMCALC: Molecular geometry calculations
PHISTATS: Analysis of agreement between phase sets, and checking it against weighting factors
POLYPOSE: Superimpose many multi-domain structures
SC: Analyse shape complementarity
SURFACE: Surface accessibility; also for preparing input for VOLUME
TOPP: Topological comparison
VOLUME: Polyhedral volume around selected atoms
WATERTIDY: Rationalise waters at the end of refinement

RCSB Validation Server: Check the format consistency of coordinates and create validation reports about a structure before deposition
Protein Data Bank at EBI: AutoDep to the Protein Data Bank
WHAT IF: Protein structure analysis (probably not free of charge)