choderalab / msm-pipeline

A pipeline for MSMs.
GNU Lesser General Public License v3.0
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Align and avoid renumbering PDB files generated by pipeline #31

Open jchodera opened 7 years ago

jchodera commented 7 years ago

Can we fit all of the PDB files to the generator, and align the generators to a single macrostate generator for output?

Also, if we can avoid renumbering all of the structures from residue 1, it will be much easier to do analysis on these PDB files.