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Rosetta Antibody Prepack - Problem HL_A vs. LH_A

Category: 
Docking

Dear Rosetta Users,

I am having a problem with the antibody_prepack_protocol, I am again following the Nature Protocols article “Modeling and docking of antibody structures with Rosetta” (doi:10.1038/nprot.2016.180).

Short Story:

I get the following error when I run the prepacking protocol on my antibody, but only when I switch the heavy and light chains from HL to LH:

ERROR: (end_res_ - start_res_ + 1) == conf_size_

Long Story:

Post Situation: 

Rosetta_2016.32.58837-openmpi-1.10.2-gcc-6.1.0 compile errors

Category: 
Compilation

Hi, 

Im trying to cmpile Rosetta 3.7 with openmpi and getting the following errors. Please help.

Environmet: Centos 7.3 

Modules loaded : GCC/6.1.0, openmpi/1.10.2

mpicc --version
gcc (GCC) 6.1.0
######################################################################################################

Post Situation: 

Antibody Homology Modeling - Antibody vs. Antibody_legacy

Category: 
Structure prediction

Hello Rosetta users,

I have a few questions with respect to antibody modelling in Rosetta, specifically I am trying to replicate the worked example in the recently published Nature Protocols article “Modeling and docking of antibody structures with Rosetta” (doi:10.1038/nprot.2016.180).

I am having a problem at the first stage in the process – Antibody homology modelling. In the paper, they run the antibody binary with some flags to avoid ‘cheating’, since the crystal structure of the sequence already exists within the pdb:

 

Post Situation: 

Antibody Modelling

Category: 
Structure prediction

Hi,

I'm trying to run antibody.linuxgccrelease -fasta antibody.fasta|tee grafting.log but got this error

terminate called after throwing an instance of 'std::out_of_range'

  what():  basic_string::substr: __pos (which is 3) > this->size() (which is 0)

Post Situation: 

ETABLE constraint function type

Category: 
Structure prediction

I am running rosetta_bin_linux_2016.15.58628_bundle and I would like to run a prediciton with a set of constraints which are defined by a potential using the ETABLE function.

As it was not implemented in the FuncFactory.cc file, I have added: 

#include <core/scoring/func/EtableFunc.hh> in the //Package headers

and 

FuncFactory::add_type( "ETABLE", FuncOP( new EtableFunc( 0, 0, 0) ) );

After that, I have recompiled and it worked to identify the Etable Function. :)

 

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Design with limited number of aminoacids at given position

Category: 
Design
Constraints

Hi!

What is the easiest way to allow only a single residue type (e.g. Trp) at a given position during the design?

I use FastDesign Mover with symmetry. I thought about ReadResfile and PIKAA command, but perhaps it could be done directly from the Rosetta Script? Via task_operations=... ?

Best wishes,

Staszek

Post Situation: 

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