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Size limit to the molecular weight of small molecule ligands #142

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stan1233 opened this issue Oct 6, 2024 · 0 comments
Open

Size limit to the molecular weight of small molecule ligands #142

stan1233 opened this issue Oct 6, 2024 · 0 comments
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stan1233 commented Oct 6, 2024

Describe the bug

Hi!

Is there a size limit to the molecular weight of small molecule ligands?

Thanks!

[ERROR][2024-10-06 11:53:41,985][unidock.py 207] Run Uni-Dock error
Ligand /home/zhang3/Uni-Dock/1005/unidock_pipeline_htfyy/docking_dir/docking_inputs/114514.sdf exceed max atom counts. 154

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@stan1233 stan1233 added the bug Something isn't working label Oct 6, 2024
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