Now, I’m using a homology_modeling_with_end_extension.
I want to modify disulf bonds constrain in homology modeling.
I got a homology template files, and got a fixed.grishin files.
[eunwook@channel template_file]$ ls
1axhA.pdb 1h9hI.pdb 1lu0A.pdb 2jtkA.pdb 2z7fI.pdb 4a94C.pdb
1cr8A.pdb 1h9iI.pdb 1udkA.pdb 2ljsA.pdb 3fjuB.pdb Ia_file.grishin
1fleI.pdb 1hvwA.pdb 1wqcA.pdb 2po8A.pdb 3nggA.pdb Ia_file.hhr
[eunwook@channel homology]$ ls
Ia_file_fixed.grishin README.txt scripts template_file
Next in minirosetta.linuxgccrelease @comparative_modeling.args this step.
I want to modify disulf constrain between specific residues by using as below
[eunwook@channel Ia]$ ls
disulf.ini disulf.cst disulf_fa.cst
But, as you know, constrain was already set by each templates.
How to modify disulf constrain without ERROR?
core.conformation.util: (0) WARNING: change_cys_state() was called on non-cys residue 15, skipping!
core.conformation.Conformation: (0) Failed to introduce CYD for disulfide (11, 15).
core.conformation.util: (0) WARNING: change_cys_state() was called on non-cys residue 23, skipping!
core.conformation.Conformation: (0) Failed to introduce CYD for disulfide (23, 24).
core.conformation.Conformation: (0) [ERROR] Residue 76 is out of range.
ERROR:: Exit from: src/core/conformation/Conformation.cc line: 1708
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