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Structure prediction

Can rosetta generate a centroid model based on the rna sequence?

Category: 
Structure prediction

For RNA, what kind of model can be defined as a centroid model?

Does rosetta have a function to generate a centroid model for RNA? For proteins, pose_from_sequence(sequence, 'centroid' ) can be used to generate a centroid model from the sequence. Is there a similar function for RNA?

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clean_pdb.py

Category: 
Structure prediction

Hi guys,

I just installed Rosetta in my Mac and trying to do the ResettaCM following the tutorials (https://www.rosettacommons.org/demos/latest/tutorials/rosetta_cm/rosetta_cm_tutorial). when i do the first step: Rosetta/demos/tutorials/rosetta_cm/scripts/clean_pdb.py 2RH1_ISOLATED A

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MPI optimization on TACC stampede2 HPC

Category: 
Structure prediction
Loop Modeling
Symmetry
Membrane

Dear community,

I am new to MPI so please correct any misuse of terms. My question is about optimizing for MPI on an HPC or a second (preferred) solution to my issue is to optimize my RAM usage so I don't have to run MPI, serial would actually improve overall models produced anyways.

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Error from clean_pdb.py

Category: 
Structure prediction

Dear Rosetta Users,

I'm recently studying the Comparative Modeling tutorial: https://www.rosettacommons.org/demos/latest/tutorials/rosetta_cm/rosetta_cm_tutorial

When I ran the script: clean_pdb.py, there was an error: /dors/meilerlab/apps/Linux2/x86_64/bin/python2.5: bad interpreter: No such file or directory.

What can I do to fix this? The python on my computer is python 3. Thank you in advance!

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ERROR: Not complementary at positions

Category: 
Structure prediction

Hi Rosetta team,

    I am trying to generate some tertiary structures for a relatively large RNA (300+ nt) with rna_denovo. But I keep getting a strange error saying the nucleotides are not complementary:

[ ERROR ]: Caught exception:


File: src/core/pose/rna/RNA_SecStruct.cc:286
[ ERROR ] UtilityExitException
ERROR: Not complementary at positions C   48 and G   53
 

    I attached my secondary structure, fasta and ct file for the RNA. I wonder what's the cause of this problem. Thanks much.

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Modelling humanized camelid like antibody

Category: 
Structure prediction

Dear Rosetta community,

I went over the antibody structure prediction tutorials and now in the process of modeling structures for my custom sequence which has 27 aa's in the CDRH3. When I ran the following command,

antibody.linuxgccrelease -fasta cfab.fasta

I got the following error 

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Question with rosetta AbPredict tutorial

Category: 
Structure prediction

Hi,

I am new to rosetta and just started working on some tutorials. I am currently trying to use AbPredict code to generate sample structures by trying to execute tutorial documents at https://zhuanlan.zhihu.com/p/82235565 and also at rosetta_bin_linux_2020.50.61505_bundle/main/demos/tutorials/AbPredict. However, I am having following questions. 

1. create_run.sh file at the rosetta_bin_linux_2020.50.61505_bundle has a syntax issue and the one with the link works perfectly.

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