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Compile C++ Rosetta to Pyrosetta

Category: 
Structure prediction

Dear all,
        I am trying to compile a c++ version of Rosetta into a python version in my ubuntu system(Ubuntu 5.4.0-6ubuntu1~16.04.12) recently, because I modified some c++ files in C++ Rosetta to add a fragment library which has fragments with a variable length (And it can compile successfully in c++ version of Rosetta).

Post Situation: 

Compile C++ Rosetta to Pyrosetta

Category: 
Structure prediction

Dear all,
        I am trying to compile a c++ version of Rosetta into a python version in my ubuntu system(Ubuntu 5.4.0-6ubuntu1~16.04.12) recently, because I modified some c++ files in C++ Rosetta to add a fragment library which has fragments with a variable length (And it can compile successfully in c++ version of Rosetta).

Post Situation: 

Fewer than expected structures in clustering output

Category: 
Structure prediction

Dear community,

I am running structure prediction of a protein whose tertiary structure is unknown. I use the standard abinitio protocol explained in the Rosetta tutorial(s). I have currently generated 3000 decoys, which I tried to cluster in order to have an idea of which structures were mostly populated.

Using the following command for clustering:

cluster.default.linuxgccrelease -in:file:fullatom -cluster:radius 3 -nooutput -out:file:silent ./cluster.out -in:file:s *.pdb 

Post Situation: 

Successful RosettaCM?

Category: 
Structure prediction

Hello,

I recieve this message following my comaprative modeling for a single structure (as a test) as seen in the attahced screenshot. Was my run successful or is there something wrong with the generated PDB structure? Any information would be appreciated. I am just confused with the lines:

core.optimization.Minimizer: (0) [ WARNING ] LBFGS MAX CYCLES 200 EXCEEDED, BUT FUNC NOT CONVERGED!

protocols::checkpoint: (0) Deleting checkpoints of FastRelax

Post Situation: 

Trouble running MPI docking protocol, please help!

Category: 
Docking

 Hi all,

I'm quite new to Rosetta (and computational approaches in general, I've only been using linux and bash-based interfaces for about 6 months) and I've spent a few weeks trying to understand the docking process, which I think I understand fairly well. I've run into a problem that I hope you can help me with. Apologies for any naivety/confusion/incorrect terms that I use, I'm still very much an amateur so I might not explain myself in the best way. 

What I want to do

Post Situation: 

How to create an ObjexxFCL FArray?

Category: 
Compilation

    pyrosetta.rosetta.ObjexxFCL is a Python module wrapped by PyBind11 around a C++ wrapper for Fortran, so I expect this matryoshka to be a problem. The documentation says these are being slowly phased out and it is uncommon finding a method that requires a ObjexxFCL FArray as opposed to a vector. However, I wanted to use one...

Post Situation: 

clustering output file has few structures

Category: 
Structure prediction

Dear community,

I am running structure prediction of a protein whose tertiary structure is unknown. I use the standard abinitio protocol explained in the Rosetta tutorial(s). I have currently generated 3000 decoys, which I tried to cluster in order to have an idea of which structures were mostly populated.

Using the following command for clustering:

cluster.default.linuxgccrelease -in:file:fullatom -cluster:radius 3 -nooutput -out:file:silent ./cluster.out -in:file:s *.pdb 

Post Situation: 

RosettaAntibody3 is failing with "Error: no input sequences were specified!"

Category: 
Structure prediction
Design

Hi all,

I am tryig to use RosettaAntibody3 to build a homology model for my antibody sequence. I am following the protocol workflow outlined in detail here: https://www.rosettacommons.org/docs/latest/application_documentation/antibody/antibody-protocol. The only difference is that I am modleing a VHH (heavy chain only antibody).

Post Situation: 

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