CCP4 Online

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. BETA


Automated structure solution pipeline for experimental phasing using maximum likelihood methods. BETA


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. BETA

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