Phasertng: directed acyclic graphs for crystallographic phasing.

ABSTRACT: Crystallographic phasing strategies increasingly require the exploration and ranking of many hypotheses about the number, types and positions of atoms, molecules and/or molecular fragments in the unit cell, each with only a small chance of being correct. Accelerating this move has been improvements in phasing methods, which are now able to extract phase information from the placement of very small fragments of structure, from weak experimental phasing signal or from combinations of molecular replacement and experimental phasing information. Describing phasing in terms of a directed acyclic graph allows graph-management software to track and manage the path to structure solution. The crystallographic software supporting the graph data structure must be strictly modular so that nodes in the

SUBMITTER: McCoy AJ 

PROVIDER: S-EPMC7787104 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature