[INFO] Console - predicting pockets for proteins from dataset [il4r.pdb] [INFO] PredictPocketsRoutine - outdir: /oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/p2rank_2.4.1/test_output/predict_il4r [INFO] FeatureSetup - enabledFeatures: [chem, volsite, protrusion, bfactor, atom_table] [INFO] Dataset - processing dataset [il4r.pdb] using 0 threads [INFO] Dataset - ------------------------------------------------------------------------------------------------------------------------ processing [il4r.pdb] (1/1) ------------------------------------------------------------------------------------------------------------------------ [INFO] Console - processing [il4r.pdb] (1/1) [INFO] Protein - loading protein [/oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/proteins/il4r.pdb] [INFO] PdbUtils - loading file [../proteins/il4r.pdb] [INFO] Struct - groups in chain A: 825 [INFO] Struct - groups in chain A: 825 [INFO] Struct - 825 groups in chain A [INFO] Protein - structure atoms: 6290 [INFO] Protein - protein atoms: 6198 [INFO] Protein - ignoring ligands [INFO] FeatureSetup - enabledFeatures: [chem, volsite, protrusion, bfactor, atom_table] [INFO] Protein - SAS points: 29317 [INFO] Protein - exposed protein atoms: 5672 of 6198 [INFO] InstancePredictor - Creating WekaInstancePredictor [INFO] SLinkClusterer - clustering [8] elements [INFO] SLinkClusterer - clusters: [id:0( 1 ), id:1( 1 ), id:3( 2 ), id:4( 1 ), id:5( 1 ), id:6( 1 ), id:7( 1 )] [INFO] SLinkClusterer - clusters together: 8 / 8 [INFO] PocketPredictor - PREDICTING POCKETS.... ==================================== [INFO] PocketPredictor - SAS POINTS: 29317 [INFO] PocketPredictor - LIGANDABLE POINTS: 8 [INFO] PocketPredictor - CLUSTERS: 7 [INFO] PocketPredictor - FILTERED CLUSTERS: 0 [INFO] OldPymolRenderer - copying [/oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/proteins/il4r.pdb] to [/oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/p2rank_2.4.1/test_output/predict_il4r/visualizations/data/il4r.pdb] [INFO] Console - predicting pockets finished in 0 hours 0 minutes 13.629 seconds [INFO] Console - results saved to directory [/oak/stanford/groups/mrivas/projects/multiomics/tlmenest/LLMChemCreator/p2rank_2.4.1/test_output/predict_il4r] [INFO] Console - [INFO] Console - Finished successfully in 0 hours 0 minutes 15.090 seconds.