Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Error during RNA-Protein Docking #149

Open
kabe89 opened this issue Sep 5, 2024 Discussed in #147 · 0 comments
Open

Error during RNA-Protein Docking #149

kabe89 opened this issue Sep 5, 2024 Discussed in #147 · 0 comments

Comments

@kabe89
Copy link

kabe89 commented Sep 5, 2024

Discussed in #147

Originally posted by kabe89 September 4, 2024
I am currently trying to extract the pdb files from a silent output file generated by rna_denovo.
the command flags are -minimize_rna false -nstruct 2000 -rna_protein_docking true -cycles 110 -ignore_zero_occupancy false -new_fold_tree_initializer true -convert_protein_CEN false -ramp_rnp_vdw true -bps_moves false -FA_low_res_rnp_scoring true

However, when I run extract_pdbs on this out file, I receive:

ERROR: ambiguous res_num & chain & segid 1
ERROR:: Exit from: src/core/pose/full_model_info/FullModelParameters.cc line: 419

[ ERROR ]: Caught exception:

File: src/core/pose/full_model_info/FullModelParameters.cc:419
[ ERROR ] UtilityExitException
ERROR: ambiguous res_num & chain & segid 1

I run rna_denovo using an RNA sequence on a tetrameric protein PDB file, which has all of the residues renumbered so all of the residues have different numbers. I tried to use the same numbering for all of the chains 1-200, chain A, 1-200, and chain B; however, that resulted in the same issue.
The secondary structure is provided as a combination of all four protein chains and the RNA sequence.
I ran validate_silent
which resulted in
core.io.silent.SilentFileData: Finished reading 2108 structures from OutputfileName.out
pct_good: 1 pct_failed: 0 pct_mismatch: 0

Any help with this matter is greatly appreciated.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant