Update README.md
Fix initialization error in HDF
Merge pull request #492 from kyleabeauchamp/master

Fix initialization error in HDF
Some minor updates for chemical shift wrappers.
Fix docstring
Forgot to document model parameter
Hopefully this works for all versions of pandas...
Merge pull request #494 from kyleabeauchamp/shift_function

[WIP] Some enhancements to chemical shift tools
import load_mol2 into top namespace
typo in style guide
Merge pull request #498 from kyleabeauchamp/mol2init

import load_mol2 into top namespace
Updated docstring to superpose
Update README.md
Move atom indices code to Topology
Alpha carbons from proteins only
Residue identities
Fix to ppm chemical shift wrapper, better tests, CI integration.
Fixed provenance info for shiftx2 test
Change to is_water and add more residue name
Fixed PATH for shiftx2.py