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natedey / RINRUS

Residue Interaction Network ResidUe Selector
MIT License
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Can't have two lines of same residues in res_atoms.dat. #33

Closed tsantaloci closed 1 year ago

tsantaloci commented 1 year ago

Code should either message the user that they can't have to of the same residue in the res atoms file or be written where is doesn't matter. Documentation needs to be updated so the user knows about this bug.

tsantaloci commented 1 year ago

When there is two lines of residues in res_atoms.dat. The code will only select the second occurrence for the model and will leave out the first occurrence.

tsantaloci commented 1 year ago

Fixed and pushed