I have access to several CIF crystal structure files obtained from a database. As they are from a database, many are potentially formatted incorrectly or missing tags in the file and cannot be read correctly by software such as VESTA. Does there exist a tool that can help me detect errors in the files and format potentially hundreds of CIFs at once, preferably in Python?
I'm not familiar with VESTA software, but PHENIX suite has a script, "Import CIF structure factors", under the "Reflection tools" tab on right of the homepage. You can upload .cif and .pdb files for any deposited data set, and this will convert to an .mtz file. I'll frequently do this, then run refinement using phenix.refine. Subsequently, you can take your stroll through the data set, as you would a structure of your own.
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