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Error on rna_denovo_setup.py

Category: 
Compilation

Dear all,

I got this error when I want to use the rna_denovo_setup.py 

>~/tools/rna_tools/bin/rna_denovo_setup.py -fasta fasta -secstruct_file secstruct -no_minimize -tag glycine_riboswitch -working_res 1-159 -native 3p49_native_RNA.pdb -cst_file constraints -staged_constraints -cycles 20000 -ignore_zero_occupancy false -silent helix0.out helix1.out helix2.out helix3.out helix4.out helix5.out helix6.out helix7.out -input_silent_res 2-9 65-72 16-21 26-31 33-35 54-56 39-42 48-51 81-85 155-159 92-97 101-106 108-110 145-147 114-117 139-142

Post Situation: 

Using Rmsd RosettaScripts filter with alignment files

Category: 
Structure prediction

I have a homology model that contains a residue insertion and thus a 1:1 residue RMSD calculation cannot be performed. I would like to try the Rmsd RosettaScripts Filter with an alignment file to get the correct C-alpha RMSD calculation. However, I'm not sure how to create this alignment file. I've tried the alignment Grishin file I used for Homology modelling but receive this error:

File: src/protocols/protein_interface_design/filters/RmsdFilter.cc:217

[ ERROR ] UtilityExitException

Post Situation: 

How to use MHC Epitope energy (mhc_epitope) to deimmunize a protein structure?

Category: 
Design

Dear all,

The MHC Epitope energy (mhc_epitope) alogrithm  (https://www.rosettacommons.org/docs/latest/rosetta_basics/scoring/MHCEpitopeEnergy) is for deimmunization of epitopes. However I cannot understand how to use it. 

I used the pdb file 2b3p.pdb and the score controlling script in the introduction webpage as the inputs and run the following command:

Post Situation: 

core.pose.util: [ ERROR ] Can't find residue type 'UNK' in type set of mode fa_standard

Category: 
Design

Dear developers,  

I tried to follow the antibody design protocol from the Nature protocol articles but unfortunately I keep getting the following error when I try it:

core.pose.util: [ ERROR ] Can't find residue type 'UNK' in type set of mode fa_standard

This is my command line: 

antibody.default.linuxgccrelease -ignore_unrecognized_res -fasta antibody_chains.fasta

and this is the content of  ROSETTA_CRASH.log:

Post Situation: 

Structure not changing after pose.set_phi

Category: 
PyRosetta

Hi, I am trying to implement the Generalized Simulated Annealing routine (Tsalis et al, 1996) and apply it on folding processes.

To do so, I code the mover w.r.t. dihedral angles (each step phi and psi sufer a small, guided perturbation). I am using the pose.set_phi and .set_psi methods to modify pose coordinates. 

The problem:

Post Situation: 

How to add additional rounds of design and optimization in Rosetta scripts?

Category: 
Docking

Hello,

I am using RosettaLigand design protocol to design protein binders for a small molecule. The tutorial I referred to is Mr. Rocco Moretti's paper ( Methods Mol Biol. 2016 ; 1414: 47–62. doi:10.1007/978-1-4939-3569-7_4.).

According to the tutorial, "the provided protocol only does one round of design and minimization. Additional rounds may be desired for further refinement. Simply replicate the low_res_dock, design_interface, and high_res_dock lines in the PROTOCOLS section to add additional rounds of design and optimization."

Post Situation: 

error running "helix_preassemble_setup.py"

Category: 
Nucleic Acids

Dear Rosetta users,

I recently install Rosetta and want to work with Rna_Denovo, when I run the command line below I got this error:

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Post Situation: 

antibody.mpi.linuxgccrelease some antibodies failing to model

Category: 
Design

Hello all, I am using the antibody.mpi.linuxgccrelease to model multiple antibodies. Most work fine but about 10% are failing with weird error messages.  I have tried everything to figure out the problem but am having no luck. These antibodies are clinical molecules, and so I feel like my failure rate is pretty high, and I'm probably doing something wrong.  There is not a lot of documentation about the (newer) antibody homology modelling application and so I am a little bit at a loss as what to do to make the program more robust. Thanks as usual for all your help!!!

Post Situation: 

Comparatively modelled chains are far apart in final structure while the template pdb has all chains in a close-knit complex

Category: 
Structure prediction

I tried to model a protein sequence (4 chains) using RosettaCM. The structure of the protein is already available in PDB (2ERJ). The issue I am facing - the final modelled structure has all the 4 chains very far apart, unlike the pdb. What exactly is going wrong? 

I am obtaining the alignment file from Clustal omega. The target fasta sequence is given as chain1/chain2/chain3/chain4 and the 2ERJ fasta is also given in the same format in clustal omega so that the final alignment has only 2 unique identifiers in the ali file, like this:

Post Situation: 

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