Changes

Dx map

146 bytes added, 07:16, 17 October 2017

sed -i.bak "s/res_num_col=1, data_col=3, error_col=4)/mol_name_col=1, res_num_col=2, res_name_col=3, spin_num_col=4, spin_name_col=5, data_col=6, error_col=7)/g" map_mod.py

sed -i.bak "s/sequence\.attach_protons/#sequence\.attach_protons/g" map_mod.py

sed -i.bak "spin/a spin" map_mod.py

# Add these two lines to map_mod.py

spin.element(element='H', spin_id='@H')

spin.isotope('1H', spin_id='@H')

# Run

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