How can I import CIF dataset to material studio software?

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Aritra Roy

Dear Constantin Muhire,

Changing the file extension manually from .txt to .cif will solve the problem. I usually use a code editor like VS Code for this purpose.

Let me know if you are facing some difficulty while doing the above-mentioned step.

Cheers,

Aritra

Contact: www.aritraroy.live

Bartosz Trzaskowski

You can open the cif file in e.g. Mercury software (free from CCDC) and then save it in a different format (xyz, mol, mol2) that is recognized by Material Studio.