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PDB files vs MOL files.
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2.4 years ago

I am helping curate a database of sorts for reactions. I want all the data to be in the same file format. I just want to know which file format is the most information dense, so that I can convert the rest of the files to that common file format.

Ie., if pdb files hold the most information, then I would convert all the mol files to pdb files so as to not lose any information. I could not find any proper comparision online. Any help would be greatly appreciated. Thanks.

pdb mol • 495 views
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I want all the data to be in the same file format.

This may lead to loss of information. I am not knowledgeable on these files formats, so I can't recommend one over another. But as often different formats formats can't be fully converted from one to other (each holds information not available to the other), it seems to me you should keep the original file, plus conversions to a common format.

Or you may develop a better file format, to encompass all information available:

How standards proliferate

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