Table 1. The main automated crystallographic pipelines distributed by CCP4.
Pipeline | Description | Use of databases | Expected CPU time |
---|---|---|---|
xia2 | Data processing | 0 | Minutes to hours |
BALBES | Molecular replacement | 3 GB | Hours to days |
MoRDa | Molecular replacement | 3 GB | Hours to days |
MrBUMP | Molecular replacement | 26 GB | Hours to days |
AMPLE | Ab initio modelling and molecular replacement | ROSETTA | Days to weeks |
SIMBAD | Contaminant searches and sequence-less MR | 25 GB | Hours to days |
CRANK2 | Experimental phasing (SAD, SIRAS, MAD) | 0 | Hours to days |
ARCIMBOLDO | Fragment-based MR | ∼1 GB | Hours to weeks |
Phaser | Automated phasing | 0 | Minutes to weeks |
Buccaneer | Model building | 0 | Minutes to hours |
Nautilus | DNA/RNA model building | 0 | Minutes to hours |