t7morgen / misato-dataset

GNU Lesser General Public License v2.1
182 stars 17 forks source link

Feature convert h5 to traj #12

Closed t7morgen closed 5 months ago

t7morgen commented 5 months ago

A conversion of the whole trajectory from h5 to nc format is now possible. Compared to h5_to_pdb atom names are conserved correctly.