Closed dp-yuanyn closed 8 months ago
Input SDF files for running Uni-Dock rigid docking should have no torsion and fragment of the whold molecule, but mcdock application gives SDF files with all fragments and tostions into rigid docking.
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Describe the bug
Input SDF files for running Uni-Dock rigid docking should have no torsion and fragment of the whold molecule, but mcdock application gives SDF files with all fragments and tostions into rigid docking.
Expected behavior
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To Reproduce
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Environment
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Additional Context
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