Does RASPA molecular simulation package take .xyz files for a crystal structure? or it reads only .cif files?

Shivanand Kumar Veesam @Shivanand-Veesam

30 May 2019 1 8K Report

I'm a very much beginner in using RASPA. I want to simulate a crystal phase, for which I have .xyz file. Can RASPA read .xyz files?

Uttam Pal

You can use openbabel to convert structure files from one format to almost all possible formats with a simple command such as this:

babel myfile.xyz myfile.cif

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