I'd like to share a script that will read in the .cssr files (SERC Daresbury Laboratory's Cambridge Structure Search and Retrieval) in a data directory, convert them into Materials Studio's native structure (.xsd) format, and output the converted structures into a subdirectory (named "Converted") under the original data directory.
The converter attempts to use as much the optional space group settings as possible as present in the original .cssr file. However, as there's no exact correspondence between the option settings between the .cssr and the .xsd formats, there can be (rare) cases that a converted structure does not correspond exactly with the parent .cssr structure, that may just require an adjustment of the optional setting (through, e.g., the MS Visualizer). Manual adjustment is required in such cases.
The converter attempts to use as much the optional space group settings as possible as present in the original .cssr file. However, as there's no exact correspondence between the option settings between the .cssr and the .xsd formats, there can be (rare) cases that a converted structure does not correspond exactly with the parent .cssr structure, that may just require an adjustment of the optional setting (through, e.g., the MS Visualizer). Manual adjustment is required in such cases.
