Develop a crystal lattice from the unit cell information #4579
roshan2004
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@roshan2004 this is theoretically possible but difficult in MDAnalysis. I would reccomend the Atomic Simulation Environment (ASE: https://wiki.fysik.dtu.dk/ase/) for this purpose, I have done something similar using ASE before. |
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Hi everyone, can MDAnalysis read a cif file, and allow to develop a super cell and eventually a crystal lattice from the unit cell information provided in the corresponding cif file? Thanks
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