CCP4

Collaborative Computational Project No. 4
Software for Macromolecular X-Ray Crystallography

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Runnable programs

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.
Zanuda
Space group and crystallographic origin validation
jsPISA
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.

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