Figure 1
Schematic representation of the graph database. Targets and models are represented as square and circular nodes, while an edge connecting two nodes represents a relationship between a target and a model node. (a) Two types of edge can connect a target–model pair. (i) A unidirectional edge defines a single instance of a molecular-replacement trial in which a model was used to determine the target structure. The four different unidirectional edges represent four different trials of molecular replacement, for instance using data to different resolution limits. (ii) A bidirectional edge defines properties associated with sequence-similarity measures. More than one unidirectional edge exists between a target–model pair if more than one molecular-replacement trial was carried out. (b) presents an overview of a small graph database to show interconnections between the nodes. A single PDB entry could be used to determine two different targets; in which case the properties associated with processing the model, such as the MolProbity score of the processed model, are stored as part of the edge property. There are also examples where a single target could be determined using multiple independent models. |