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Error in rosetta_scripts.mpi.linuxgccrelease: double free or corruption (!prev): 0x0000000007697a90

Category: 
Design

Hello,

I am running  a xml script with rosetta_scripts (Rosetta 3.14, v2022.11) in my HPC cluster and I am getting the following error:

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GeneralizedKIC side chain closure.

Category: 
Design

Hi all,

I want to generate cyclic peptides in a binding site employing the anchor design approach similar to https://www.nature.com/articles/s41467-021-23609-8 and  https://www.pnas.org/doi/suppl/10.1073/pnas.2012800118. I need to do the closure by amidation between two side chains (K/E) or side chain/C-terminal.

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Proper indexing of grafted residues by CCDEndsGraftMover

Category: 
Design

I found that the grafted residues by CCDEndsGraftMover do not have proper indexing. They have no chain ID, and all residue numbers are 0. If the XML option copy_pdbinfo was set to 1, the grafted residues just shared the same chain ID and residue number as the original segment. I am wondering if there are any movers that do the following tasks.

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Sequence symmetry during FastDesign for repeat protein design

Category: 
Design

I want to design a repeat protein that self-assembles into a designed structure. As a result, I want each repeat to acquire the same sequence after the FastDesign mover. Is it possible that during FastDesign mover, all repeats are mutated the same way? Is there any Taskoperation (or mover) I can call to set up such a constraint?

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Get fasta from PDB script correction - Solved

Category: 
Design

Dear researchers,

Those who really want to use the get_fasta_from_pdb.py script to generate the FASTA files from PDB, generally face some sorts of errors.

The most common error is: TabError: inconsistent use of tabs and spaces in indentation

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Unrecognized D-Leu name / C-terminal ACE

Category: 
Design

Hello,

I am designing a macrocycle with simple_cycpep_predict that contains a D-Leu in the N-terminal and an acetylated ASP in the C-terminal. My sequence_file (-cyclic_peptide:sequence_file) is DLE ........ ASP

1) When I run the app it doesn't recognize the D-Leu name:

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