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Update README.md
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Fixes #3
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Dapid authored May 1, 2021
1 parent da9dba2 commit cf257e8
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,7 @@ optimisation score.
They are initialised with the file paths to two PDB files:

```
alignment = tmscoring.TMscore('structure1.pdb', 'structure2.pdb')
alignment = tmscoring.TMscoring('structure1.pdb', 'structure2.pdb')
# Find the optimal alignment
alignment.optimise()
Expand All @@ -26,7 +26,7 @@ alignment.rmsd(**alignment.get_current_values())
alignment.get_matrix(**alignment.get_current_values())
# Save the aligned files:
alignment.write(outputfile='aligned.pdb', append=True)
alignment.write(outputfile='aligned.pdb', appended=True)
```

The structures can be matched by index (default), or performing a global sequence alignment with Smith-Waterman
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