how to retrieve ligand xyz coordinates?

t7morgen / misato-dataset

GNU Lesser General Public License v2.1

182 stars 16 forks source link

Closed John-zzh closed 3 months ago

John-zzh commented 3 months ago

Hi there,

Kindly ask how can I retrieve the xyz coordinate of those ligand molecules, are they in the QM.hdf5 file?