deGrootLab / pmx

Toolkit for free-energy calculation setup/analysis and biomolecular structure handling

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Error in atom.py

etiur opened this issue · comments

In the function readPDBString, there is an instance, self.x that reads the coordinates of the pdb files.

Currently self.x=[float(line[30:38]), float(line[39:46]), float(line[47:54])]

But it should be self.x=[float(line[30:38]), float(line[39:46]), float(line[46:54])]