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Figure 1
Flowchart detailing the new Phaser pathways (shown with pink arrows) that have been implemented in SIMBAD. Criteria for a solution are R values of <0.45 from REFMAC5 and/or an LLG of >60 and TFZ of >8 if MR is performed using Phaser. SIMBAD will use the MR subroutine to test the top 200 solutions ranked by AMoRe Z-score or Phaser RFZ score unless a solution has been identified by the early-termination procedure. The early-termination procedure is triggered when a search model achieves a Z-score of >10 in an AMoRe search or an RFZ of >7 in a Phaser search. This search model is tested using the MR subroutine and if the placed model meets the criteria for a solution then the process will terminate early.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 76| Part 1| January 2020| Pages 1-8
https://doi.org/10.1107/S2059798319015031
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