 | Acta Crystallographica Section D Acta Crystallographica Section D BIOLOGICAL CRYSTALLOGRAPHY |
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![[Figure 2]](ba5210fig2mag.jpg)
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Figure 2
Simplified molecular-replacement workflow of an extension cycle, including solution analyses. The process starts with partial solutions taken from the previous cycle (marked with a light blue box) and ends with refined solutions that will be propagated to the next cycle (marked with white text on a light green background), if any. Common molecular-replacement steps are performed with each model that is applicable to a given partial structure (decided by the composition). If a clear solution is identified, quick scoring by superposition can be performed. The dead-end `Rejected packing' is shown to highlight a potential automation step, namely automatic model pruning, if rejected solutions are found with good statistics. The grey dashed box highlights solution-analysis steps. Assemblies identified after refinement (or specified by the user) are used to fill in missing molecules (also shown as white text on a light green background), which enter the workflow as a translation peak (in the following cycle; indicated by the empty arrow). Assemblies can also be used to augment the model list (if requested). With the exception of solution categorization and steps in solution analysis, all processing steps indicated by arrows can run in parallel. The molecular graphics in this figure were rendered with CCP4mg (McNicholas et al., 2011  ). |
![[Figure 2]](ba5210fig2.jpg)
| BIOLOGICAL CRYSTALLOGRAPHY |
ISSN: 1399-0047
