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Reading cif files with MDAnalysis

Reads cif files and unpacks all symmetries

Requirements

To install these is probably easiest via::

conda install -c conda-forge openbabel mdanalysis

Usage

Create a MDAnalysis Universe. For how to use this, see this tutorial

import MDAnalysis as mda
import mdaCIF

u = mda.Universe('yourcif.cif')

Convert cif into another format:

import MDAnalysis as mda
import mdaCIF

u = mda.Universe('yourcif.cif')

# Can also write as xyz, gro etc
u.atoms.write('newfile.pdb')

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Reading cif files with MDAnalysis

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