TrajectoryReportToDB

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TrajectoryReportToDB

The TrajectoryReportToDB mover is a subclass of ReportToDB that can be used in Rosetta scripts to report features multiple times to a database for a single output, creating a "trajectory". Since this mover is a subclass of above, any tag or option described for ReportToDB can also be used here. See ReportToDB for these options.

Structures are mapped to cycle step in the trajectory_structures_steps table. To select all trajectory output for a particular run, group struct_ids by output tag (found in the structures table).

ReportToDB Tag :

Any tag used in ReportToDB can also be used in TrajectoryReportToDB
stride (&int) : This one additional tag is unique to TrajectoryReportToDB. It controls the "stride", or how often trajectory features are reported in a simulation. Example: if stride is set to 10, then features will be reported every 10th iteration of the protocol.

Feature Subtags : Same as ReportToDB

The following tables are created:
- trajectory_structures_steps : Maps struct_id to trajectory step count.

    CREATE TABLE trajectory_structures_steps(
         struct_id INTEGER NOT NULL,
         step INTEGER NOT NULL,
         FOREIGN KEY (struct_id) REFERENCES structures(struct_id) DEFERRABLE INITIALLY DEFERRED,
         PRIMARY KEY (struct_id, step));

TrajectoryReportToDB

TrajectoryReportToDB

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