CCP4 is a software suite for Macromolecular X-Ray Crystallography, for every stage of the crystallographic structure solution process, from processing X-ray diffraction images through to producing images and movies for presentations and publications.
CCP4 Online provides the following programs and pipelines:
- An automated Molecular Replacement (MR) pipeline – Balbes integrates into one system all the components necessary for solving a crystal structure by Molecular Replacement
- An automated Molecular Replacement (MR) pipeline – Given a target sequence and experimental structure factors, it will search for homologous structures, create a set of suitable search models from the template structures, do molecular replacement, and test the solutions with some rounds of restrained refinement.
- Space group and crystallographic origin validation
- Calculation and analysis of macromolecular surfaces and interfaces
- Automated ab initio search model generation for molecular replacement.
- Automated SHELXC/D/E structure solution pipeline for fast routine experimental phasing. Accepts data in XDS, Scalepack, SHELX hkl or mtz formats and outputs phases and a poly-Ala trace. If a protein sequence is provided, BUCCANEER and REFMAC complete the structure.
- Automated structure solution pipeline for experimental phasing using maximum likelihood methods.
- MoRDa is a pipeline for molecular replacement protein structure solution based on its own domain database. Models relevant to the target sequence are further adjusted before molecular replacement search.
Sequence-independent molecular replacement, good for identifying if your crystal contains a contaminant protein.