ERROR: f.check_fold_tree

[Anonymous]

Hi,

I’m getting the following error when trying prepacking
(this is only the last part of the error)

---

core.kinematics.FoldTree: FoldTree::reorder( 227 ) failed, new/old edge_list_ size mismatch
core.kinematics.FoldTree: 9 1
core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 331 3 EDGE 1 110 -1 EDGE 110 111 1 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 2
core.kinematics.FoldTree: FoldTree::reorder( 227 ) failed, new/old edge_list_ size mismatch
core.kinematics.FoldTree: 9 1
core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 110 -1 EDGE 110 111 1 EDGE 154 401 2 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 3
core.kinematics.FoldTree: FoldTree::reorder( 1 ) failed, new/old edge_list_ size mismatch
core.kinematics.FoldTree: 9 7
core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 110 -1 EDGE 110 111 1 EDGE 154 401 2 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 3
core.kinematics.FoldTree: bad fold tree at edge 1–110 !
core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 110 -1 EDGE 110 111 1 EDGE 154 401 2 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 3
core.kinematics.FoldTree:
core.kinematics.FoldTree: bad fold tree at edge 1–110 !
core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 110 -1 EDGE 110 111 1 EDGE 154 401 2 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 3
core.kinematics.FoldTree:

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

---

I have not seen this problem before.

Could someone explain how to solve this.

Many thanks.
sid

[Anonymous]

How many chains are you trying to dock? It looks like you’ve got 3 or 4.

[Anonymous]

Yes I have 4 chains.

Thanks.

> Hi,
>
> I’m getting the following error when trying prepacking
> (this is only the last part of the error)
>

---

> core.kinematics.FoldTree: FoldTree::reorder( 227 ) failed, new/old edge_list_ size mismatch
> core.kinematics.FoldTree: 9 1
> core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 331 3 EDGE 1 110 -1 EDGE 110 111 1 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 2
> core.kinematics.FoldTree: FoldTree::reorder( 227 ) failed, new/old edge_list_ size mismatch
> core.kinematics.FoldTree: 9 1
> core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 110 -1 EDGE 110 111 1 EDGE 154 401 2 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 3
> core.kinematics.FoldTree: FoldTree::reorder( 1 ) failed, new/old edge_list_ size mismatch
> core.kinematics.FoldTree: 9 7
> core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 110 -1 EDGE 110 111 1 EDGE 154 401 2 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 3
> core.kinematics.FoldTree: bad fold tree at edge 1–110 !
> core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 110 -1 EDGE 110 111 1 EDGE 154 401 2 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 3
> core.kinematics.FoldTree:
> core.kinematics.FoldTree: bad fold tree at edge 1–110 !
> core.kinematics.FoldTree: FOLD_TREE EDGE 227 330 -1 EDGE 1 110 -1 EDGE 110 111 1 EDGE 154 401 2 EDGE 331 401 -1 EDGE 401 434 -1 EDGE 111 154 -1 EDGE 154 226 -1 EDGE 154 401 3
> core.kinematics.FoldTree:
>
> ERROR: f.check_fold_tree()
> ERROR:: Exit from: src/protocols/docking/DockingProtocol.cc line: 327
>

---

>
>
> I have not seen this problem before.
>
> Could someone explain how to solve this.
>
> Many thanks.
> sid
>
>

[Anonymous]

There are known issues with the multi-chain docking in the 3.1 release. There’s a flag for docking more than one chain, -partners, but I don’t think it works very well. If you have ABCD, and want to dock AB to CD, try

-partners AB CD

and see if that helps any.

[Author]

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