import sys from ase.io import read from msspec.msspecgui.msspec.gui.clusterviewer import ClusterViewer import wx def view(cluster): cluster.info['absorber'] = cluster.emitter app = wx.App(False) win = wx.Frame(None, size=wx.Size(480, 340)) cluster_viewer = ClusterViewer(win, size=wx.Size(480,340)) cluster_viewer.set_atoms(cluster, rescale=True, center=True) cluster_viewer.rotate_atoms(0.,180.) cluster_viewer.rotate_atoms(-45., 45.) win.Show() app.MainLoop() if __name__ == "__main__": fname = sys.argv[1] cluster = read(fname) view(cluster)