Member Site Forums Rosetta 3 Rosetta 3 – General Fold tree error

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    • #496
      Anonymous

        I am doing protein-protein docking and I am getting this error. My pdb file is prepared according to rosetta instructions. I am not able to understand the cause of the error. Can anyone help me with this error.
        I am using rosetta3.1.

        ####################################ERROR###############################################
        core.init: command: docking_protocol.linuxgccrelease @flags -database /share/apps/rosetta3.1/rosetta_database
        core.init: ‘RNG device’ seed mode, using ‘/dev/urandom’, seed=1512441785 seed_offset=0 real_seed=1512441785
        core.init.random: RandomGenerator:init: Normal mode, seed=1512441785 RG_type=mt19937
        core.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/env_log.txt
        core.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/cbeta_den.txt
        core.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/pair_log.txt
        core.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/cenpack_log.txt
        core.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/interchain_env_log.txt
        core.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/interchain_pair_log.txt
        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.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/pdb_pair_stats_fine
        core.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/P_AA
        core.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/P_AA_n
        core.io.database: Database file opened: /share/apps/rosetta3.1/rosetta_database/P_AA_pp
        core.options: option[ out::file::fullatom ]() re-interpreted as setting option[ out::file::residue_type_set ]() to fa_standard
        core.init: command: docking_protocol.linuxgccrelease @flags -database /share/apps/rosetta3.1/rosetta_database
        core.init: ‘RNG device’ seed mode, using ‘/dev/urandom’, seed=1527558935 seed_offset=0 real_seed=1527558935
        core.init.random: RandomGenerator:init: Normal mode, seed=1527558935 RG_type=mt19937
        protocols.jobdist.JobDistributors: Looking for an available job: 1 1 input/3116.pdb 1
        protocols.jobdist.main: Starting 3116_0001 …
        core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue ALA_p:CtermProteinFull 201
        core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue ALA_p:CtermProteinFull 397
        core.pack.task: Packer task: initialize from command line()
        core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue ALA_p:CtermProteinFull 201
        core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue ALA_p:CtermProteinFull 397
        core.pack.task: Packer task: initialize from command line()
        protocols.docking.DockingProtocol: Setting docking foldtree
        protocols.docking.DockingProtocol: old fold tree: FOLD_TREE EDGE 1 201 -1 EDGE 1 202 1 EDGE 202 397 -1 EDGE 1 398 2 EDGE 398 653 -1
        protocols.docking.DockingProtocol:
        core.kinematics.FoldTree: FoldTree::reorder( 202 ) failed, new/old edge_list_ size mismatch
        core.kinematics.FoldTree: 7 1
        core.kinematics.FoldTree: FOLD_TREE EDGE 202 397 -1 EDGE 1 398 2 EDGE 1 137 -1 EDGE 137 201 -1 EDGE 398 576 -1 EDGE 576 653 -1 EDGE 137 576 1
        core.kinematics.FoldTree: FoldTree::reorder( 202 ) failed, new/old edge_list_ size mismatch
        core.kinematics.FoldTree: 7 1
        core.kinematics.FoldTree: FOLD_TREE EDGE 202 397 -1 EDGE 137 576 1 EDGE 1 137 -1 EDGE 137 201 -1 EDGE 398 576 -1 EDGE 576 653 -1 EDGE 137 576 2
        core.kinematics.FoldTree: FoldTree::reorder( 1 ) failed, new/old edge_list_ size mismatch
        core.kinematics.FoldTree: 7 5
        core.kinematics.FoldTree: FOLD_TREE EDGE 202 397 -1 EDGE 137 576 1 EDGE 1 137 -1 EDGE 137 201 -1 EDGE 398 576 -1 EDGE 576 653 -1 EDGE 137 576 2
        core.kinematics.FoldTree: bad fold tree at edge 137–576 !
        core.kinematics.FoldTree: FOLD_TREE EDGE 202 397 -1 EDGE 137 576 1 EDGE 1 137 -1 EDGE 137 201 -1 EDGE 398 576 -1 EDGE 576 653 -1 EDGE 137 576 2
        core.kinematics.FoldTree:
        core.kinematics.FoldTree: bad fold tree at edge 137–576 !
        core.kinematics.FoldTree: FOLD_TREE EDGE 202 397 -1 EDGE 137 576 1 EDGE 1 137 -1 EDGE 137 201 -1 EDGE 398 576 -1 EDGE 576 653 -1 EDGE 137 576 2
        core.kinematics.FoldTree:

        ERROR: f.check_fold_tree()
        ERROR:: Exit from: src/protocols/docking/DockingProtocol.cc line: 327

      • #4453
        Anonymous

          It looks like it may be angry because you have too many chains in the starting pdb?

          • #4455
            Anonymous

              > It looks like it may be angry because you have too many chains in the starting pdb?

              Thanks for yuour reply.
              Yes I have two chains in protein 1 and one in protein 2.Both the proteins are combined in single pdb and the pdb is refined according to rosetta manul.
              What can I do to solve the error?

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