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Structure prediction

Camelid antibody (VHH) modelling

Category: 
Structure prediction

Im modelling a camelid antibody (vhh) amino acid sequence using Rosetta (rosetta_src_2016.32.58837_bundle). I cannot generate these input files : "FR02_H.pdb", "FR02.cst",  "FR02.cst_fa". Please tell me which 'bin' sould I use to get this inputs for "camelid antibody graffeting".  Thanks.

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Running Rosetta CM Hybridize step errors with: Scorefunction not set up for nonideal/Cartesian scoring

Category: 
Structure prediction

I am running the example protocol (RosettaCM multi-template comparative modeling) supplied by the Meiler lab (I think?). Only I am using a different starting protein that the one provided. I have successfull made it to the hybridize step:

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Simple comparative modeling (threading) example is failing with "unknown atom name: CA CB"

Category: 
Structure prediction

I am trying to run a very simple threading scenario (comparative modeling - but as basic as it gets).

I am executing the command:

partial_thread.static.linuxgccrelease -database $ROSETTA_DATABASE -in:file:fasta /inputs/2yhd_model.fasta -in:file:alignment /inputs/2yhd_model.grishin.txt -in:file:template_pdb /inputs/2yhd.pdb 

But an getting the error: 

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Rosetta ScriptsFeatures Reporter issue

Category: 
Structure prediction

I am attempting to use the Fetures Reporter InterfaceFeatures on MacOS with Rosetta 3.8, but I get an error back. If I comment out InterfaceFeatures, the script runs fine. The PDB file is clean, just two proteins (attached). Do I have some misunderstanding about the nature of the InterfaceFeatures reporter?

My script is

<ROSETTASCRIPTS>

    <SCOREFXNS>

        <ScoreFunction name="t14" weights="talaris2014" />

    </SCOREFXNS>

    <RESIDUE_SELECTORS>

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cxx11 error with antibody modelling

Category: 
Structure prediction
Design

Dear all,

I built the last release 2017.08 recently. I have not encountered any error during the build. Here is the command I ran:

./scons.py -j8 mode=release bin extras=cxx11 extras=mpi

I have gcc version 5.4.0 so according to build tutorial this should new enough to have C++11 support. 

But when I am running antibody.linuxrelease as according to the protocol on

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combine_silent ERROR: unknown atom_name: CYS SG

Category: 
Structure prediction

Dear Rosetta experts,

I am trying to combine some silent file representing proteins that have disulfide bonds (combine_silent.linuxgccrelease from rosetta/2015.25.57927).  The silent files were created by running minirosetta for structure determination.  I am running into the following error message:

[ERROR] EXCN_utility_exit has been thrown from: src/core/chemical/ResidueType.cc line: 2975
ERROR: unknown atom_name: CYS  SG

Can anyone please tell me how to get around this error?

Thanks,

Holly Freedman

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Building a PDB from a set of internal coordinates.

Category: 
Structure prediction

I am curious if anyone knows of a program in Rosetta that can build a protein or non-canonical polymer chain based on a set of internal coordinates and other geometric criteria?

Specifically I want to find a program that can take a set of dihedral angle data (with the possibility of including long-range, inter-residue contacts) and use these data to generate the Cartesian coordinates of the molecules.

If anyone knows of a particular program in Rosetta that can accomplish this, please point the way.

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KeyError: 'subject-id' in antibody modelling

Category: 
Structure prediction
Design

Dear all,

I have recently started learning Rosetta. Now I am working on antibody modelling. I have prepared my inputs, have blast and Pro-Fit working.  When I am running the antibody.py with the default preprocessing options

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Rosetta CM executables not built

Category: 
Structure prediction

Hi,

I downloaded the 2016 linux release of Rosetta3 (rosetta_bin_linux_2016.32.58837_bundle) about 6 months ago. I have just now found that the partial_thread.default.linuxgccrelease executable needed for RosettaCM is missing. Is there any particular reason why it would not have been built? How do I fix it?

Thank you,

Claire 

Post Situation: 

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