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hot spot saving added
1 parent 07f5941 commit 1386d0a

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run_utils.py

Lines changed: 2 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -582,9 +582,8 @@ def run(self, thr=5., atom='CB'):
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if self.anchor_pred:
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pass
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if self.save_hotspots:
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output_dir = os.path.join(self.output_dir, 'hotspots.json')
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with open(output_dir, 'w') as f:
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json.dump(self.hot_spots, f, indent=4)
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output_dir = os.path.join(self.output_dir, 'hotspots.npz')
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np.savez(output_dir, **self.hot_spots)
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def __mhc_design(self):
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output_dir = os.path.join(self.output_dir, 'mhc_design')

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