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Posts by advait.raykar
... I have a folder full of 1000s of mol files which I would like to be converted to pdb files. I have tried using open babel, but that is throwing me errors. Here is the command I tried: babel *.mol -opdb -m --gen3d It manages to convert a few files, but eventually fails after 10 odd files. Here ...
... 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 ...
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