CCP4 Online

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The following programs and pipelines are available:

Balbes
An automated Molecular Replacement (MR) pipeline - Balbes integrates into one system all the components necessary for solving a crystal structure by Molecular Replacement
MrBUMP
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.
New: MrBUMP now searches the EBI-AFDB AlphaFold database for potential search models in addition to the PDB. This increases the pool of potential search models by 350000 with more to come in the near future.
Zanuda
Space group and crystallographic origin validation
jsPISA (on another server)
Calculation and analysis of macromolecular surfaces and interfaces
AMPLE
Automated ab initio search model generation for molecular replacement.
SHELX
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.
CRANK2
Automated structure solution pipeline for experimental phasing using maximum likelihood methods.
MoRDa
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.
SIMBAD
Sequence-independent molecular replacement, good for identifying if your crystal contains a contaminant protein. SIMBAD can also do full search of homologous structures in difficult-to-solve novel target cases, but this functionality is not yet available through CCP4-Online.
ARCIMBOLDO
Crystallographic Ab Initio protein solution below atomic resolution
CoVaL (on another server)
CoVal is a repository of amino acid replacement mutations identified in the SARS-CoV-2 genome sequences, mapped onto the cryo-EM derived protein structures.

For Balbes, MoRDa and MrBUMP output files can be sent to ARP/wARP or PDB_REDO for rebuilding and re-refinement (option given before and after job run, respectively). Login using your ARIA id to avoid further authentication.

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