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Update colabdesign_utils.py
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martinpacesa authored Oct 31, 2024
1 parent 82f45a1 commit 2b34b58
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions functions/colabdesign_utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -202,8 +202,8 @@ def binder_hallucination(design_name, starting_pdb, chain, target_hotspot_residu
binder_contacts = hotspot_residues(model_pdb_path)
binder_contacts_n = len(binder_contacts.items())

# if less than 7 contacts then protein is floating above and is not binder
if binder_contacts_n < 7:
# if less than 3 contacts then protein is floating above and is not binder
if binder_contacts_n < 3:
af_model.aux["log"]["terminate"] = "LowConfidence"
update_failures(failure_csv, 'Trajectory_Contacts')
print("Too few contacts at the interface, skipping analysis and MPNN optimisation")
Expand Down Expand Up @@ -474,4 +474,4 @@ def plot_trajectory(af_model, design_name, design_paths):
plt.savefig(os.path.join(design_paths["Trajectory/Plots"], design_name+"_"+metric+".png"), dpi=150)

# Close the figure
plt.close()
plt.close()

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