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not output for some particular structures #14

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@fuyuandj86

I tried 70000+ different pdbqt structures. Out of the 70000+ structures, 23 pdbqt structures failed to generate any log file or output file. These pdbqt files worked fine with regular Vina.
The three files in site_output (*.npy, *_feature_generate.txt and *_surface.txt) were succesfully generated, although not log file or docking results.
Below is the print. Attached please find two sets of the ligand and protein files.
DSDP_failed_23.zip

drug discovery ...
load 0/23 1HCK_P24941 ...
load 1/23 4E26_P15056 ...
load 2/23 4E45_Q8IYD8 ...
load 3/23 4EOS_P20248 ...
load 4/23 5DMJ_P25942 ...
load 5/23 5HVW_P01861 ...
load 6/23 5YBY_Q6ZMI3 ...
load 7/23 6HGT_O75164 ...
load 8/23 6K4G_P78356 ...
load 9/23 6Y6X_P46776 ...
load 10/23 6ZM7_P46776 ...
load 11/23 6ZMI_P46776 ...
load 12/23 6ZMI_P62750 ...
load 13/23 7EM4_P78356 ...
load 14/23 7EM5_P78356 ...
load 15/23 7F5S_P42766 ...
load 16/23 7R4X_P23396 ...
load 17/23 8HK1_Q15459 ...
load 18/23 AF-P0DP42-F1-model_v4_8 ...
load 19/23 AF-Q07699-F1-model_v4_17 ...
load 20/23 AF-Q13907-F1-model_v4_2 ...
load 21/23 AF-Q3SXY8-F1-model_v4_15 ...
load 22/23 AF-Q6UWB1-F1-model_v4_36 ...
drug discovery >>>
drug discovery !!!
Time: 160534.284188

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