RAPD is able to recognize the collection of either diffraction snapshots (often used to screen macromolecular crystals prior to data collection) or the collection of diffraction data sets. In the case of snapshots, RAPD utilizes the programs DISTL, Labelit, Raddose, and BEST to provide an indexing solution and data collection strategies of that particular crystal.
In addition to the automatically launched processes of autoindexing and integration/scaling, users may request that RAPD reindex a snapshot or pair of snapshots or reintegrate and data run. Reindexing allows the user to define several parameters such as the expected spacegroup, change the method used for strategy determination, and add additional images to the indexing. Reintegration currently allows the user to define a subset of frames from a data collection run to be reintegrated and scaled.
In the case of a collected data set, RAPD will automatically initiate integration and scaling of the data set. In most cases this data processing begins while the data is being collected, with results displayed and updated throughout the data collection. RAPD utilizes the program XDS to both integrate and scale the data and then uses the CCP4 programs Pointless and Scala to provide a summary of the results in a format most users are familiar with.
RAPD is a modular package of programs written for the automated processing of macromolecular crystallographic data. It monitors a beamline for new data, processes snapshots to create strategies for data collection, integrates runs of data in real time for structure solution, and can then solve the structure of a collected data set using molecular replacement or single wavelength anomalous diffraction. Importantly, all results are presented to users in an HTML-based interface that is accessible over the Internet for remote collaboration.