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Hi,
It seems the file name in *.ds file does not support an absolute path like /home/user/dataset/*.pdb.
I have a .ds file:
/home/jsun/gpse_v2/test/structure_dataset/A0A1Q8LK65_AF.pdb
/home/jsun/gpse_v2/test/structure_dataset/W7ISS8_AF.pdb
/home/jsun/gpse_v2/test/structure_dataset/A5EDZ7_AF.pdb
/home/jsun/gpse_v2/test/structure_dataset/A0A3G7HEQ2_AF.pdb
/home/jsun/gpse_v2/test/structure_dataset/A0A6J4VWF3_AF.pdb
/home/jsun/gpse_v2/test/structure_dataset/A0A1R4K1N1_AF.pdb
/home/jsun/gpse_v2/test/structure_dataset/A0A7W8E001_AF.pdb
and in the error log:
[INFO] Console - ----------------------------------------------------------------------------------------------
[INFO] Console - P2Rank 2.4
[INFO] Console - ----------------------------------------------------------------------------------------------
[INFO] Console -
[INFO] Main - loading default config from [/home/jsun/gpse_v2/p2rank_2.4/config/default.groovy]
[INFO] Main - looking for dataset in dataset_base_dir [/home/jsun/gpse_v2/GPSE/filtered.ds]...
[INFO] Dataset - loading dataset [/home/jsun/gpse_v2/GPSE/filtered.ds]
[ERROR] Dataset - protein file doesn't exist: .//home/jsun/gpse_v2/test/structure_dataset/A0A7W8E001_AF.pdb
[ERROR] Dataset - protein file doesn't exist: .//home/jsun/gpse_v2/test/structure_dataset/W7ISS8_AF.pdb
[ERROR] Dataset - protein file doesn't exist: .//home/jsun/gpse_v2/test/structure_dataset/A0A1Q8LK65_AF.pdb
[ERROR] Dataset - protein file doesn't exist: .//home/jsun/gpse_v2/test/structure_dataset/A5EDZ7_AF.pdb
[ERROR] Dataset - protein file doesn't exist: .//home/jsun/gpse_v2/test/structure_dataset/A0A1M4DY30_AF.pdb
[ERROR] Dataset - protein file doesn't exist: .//home/jsun/gpse_v2/test/structure_dataset/A0A447WAH0_AF.pdb
[ERROR] Dataset - protein file doesn't exist: .//home/jsun/gpse_v2/test/structure_dataset/A0A1R4K1N1_AF.pdb
How can I modify the setting to avoid this? Thanks a lot! 🙏