Rosetta Ligand Docking Error: Pose has no jumps!

rosettasun@wp:/media/sun/yingpan/linux/enzds/enzdes/design$ /media/sun/yingpan/linux/rosetta_bin_linux_2021.16.61629_bundle/main/source/bin/ligand_dock.linuxgccrelease @dock_flags -out:path:pdb work/jnk_pp_1_001/1 -run:seed_offset 1 -out:suffix _1 core.init: Checking for fconfig files in pwd and ./rosetta/flags core.init: Rosetta version: rosetta.binary.linux.release-280 r280 2021.16+release.8ee4f02 8ee4f02ac5768a8a339ffada74cb0ff5f778b3e6 https://www.rosettacommons.org 2021-04-20T20:52:25.363712 core.init: command: /media/sun/yingpan/linux/rosetta_bin_linux_2021.16.61629_bundle/main/source/bin/ligand_dock.linuxgccrelease @dock_flags -out:path:pdb work/jnk_pp_1_001/1 -run:seed_offset 1 -out:suffix _1 basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=-1978027914 seed_offset=1 real_seed=-1978027913 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=-1978027913 RG_type=mt19937 core.init: found database environment variable ROSETTA3_DB: /media/sun/yingpan/linux/rosetta_bin_linux_2021.16.61629_bundle/main/database ligand_dock.main: [ WARNING ] Current version of ligand_dock expects regular silent file with -in:file:silent ligand_dock.main: [ WARNING ] Use -in:file:atom_tree_diff for inputting Atom Tree Diff format files core.scoring.etable: Starting energy table calculation core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: Finished calculating energy tables. basic.io.database: Database file opened: scoring/score_functions/PairEPotential/pdb_pair_stats_fine basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated. basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt core.scoring.ramachandran: shapovalov_lib::shap_rama_smooth_level of 4( aka highest_smooth ) got activated. basic.io.database: Database file opened: scoring/score_functions/rama/shapovalov/kappa25/all.ramaProb core.scoring.etable: Starting energy table calculation core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: Finished calculating energy tables. core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 985 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 0.504967 seconds. core.import_pose.import_pose: File '/media/sun/yingpan/linux/enzds/enzdes/design/1wcg_A_0009.pdb' automatically determined to be of type PDB protocols.ligand_docking.main: Changing atom_tree_diff output precision to 6,3,1. protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: pushed /media/sun/yingpan/linux/enzds/enzdes/design/1wcg_input.pdb nstruct index 1 core.import_pose.import_pose: File '/media/sun/yingpan/linux/enzds/enzdes/design/1wcg_A_0009.pdb' automatically determined to be of type PDB protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: filling pose from PDB /media/sun/yingpan/linux/enzds/enzdes/design/1wcg_input.pdb core.import_pose.import_pose: File '/media/sun/yingpan/linux/enzds/enzdes/design/1wcg_input.pdb' automatically determined to be of type PDB

ERROR: Pose has no jumps! ERROR:: Exit from: src/protocols/ligand_docking/LigandBaseProtocol.cc line: 333 protocols.jd2.JobDistributor: [ ERROR ]

[ERROR] Exception caught by JobDistributor for job 1wcg_input_1_0001

[ ERROR ]: Caught exception:

File: src/protocols/ligand_docking/LigandBaseProtocol.cc:333 [ ERROR ] UtilityExitException ERROR: Pose has no jumps!

AN INTERNAL ERROR HAS OCCURED. PLEASE SEE THE CONTENTS OF ROSETTA_CRASH.log FOR DETAILS.

protocols.jd2.JobDistributor: [ WARNING ] 1wcg_input_1_0001 reported failure and will NOT retry protocols.jd2.JobDistributor: no more batches to process... protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 1 seconds

[ ERROR ]: Error(s) were encountered when running jobs. 1 jobs failed; Check the output further up for additional error messages.

如何解决内容：根据输出信息，错误位于LigandBaseProtocol.cc的第333行，提示Pose没有jumps。建议检查输入的PDB文件是否正确，确保其包含所需的跳跃信息。如果问题仍然存在，可以尝试联系Rosetta社区或开发人员以获取帮助。