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score against rmsd plot of designs

Category: 
Design

Hello, friends,

I was designing the "interface" (possible contacts) of a fusion protein using FastDesign. Since I was running the appliction on a laptop, so far only 200 designed models have been genrated.

I then went on to analyze the result anyway and tried to plot Score VS caRMSD (as shown in the attached file). Here are my questions:

Post Situation: 

Building v3.13 rosetta.source.release-296 + MPI error

Category: 
Compilation

Hi all,

I'm trying to build Rosetta version 3.13 (rosetta.source.release-296) in a CentOS cluster with MPI. I have already installed version 3.7, 3.10 and 3.12 in the same machine. I'm using the very same options as used in older compiled versions (file site.settings indicating where are de mpicc and mpicxx compilers/libraries).

The command line is as below:

./scons.py mode=release bin extras=mpi 

After several minutes, I have the following error message:

Post Situation: 

Support for local install of ROSIE?

Category: 
ROSIE

Hello,

Is ROSIE generally available to install and run locally? The original publications provides steps for setting up a test VM to develop protocols, but this does not seem like a production capable system.

I am not a Rosetta user but have been asked to see if we can run ROSIE on a local cluster. 

 

Thanks,

Jim

Post Situation: 

Differentiable Energy Function w/ Centroid Representation

Category: 
Scoring

Hi!

I have a protein complex that's represented in terms of the sequence, the pairwise distances between the CA atoms, and the phi and psi dihedral angles. These distances and dihedral angles should be reasonably correct. I do not have access to the coordinates (N,CA,C,O, etc.) of this protein complex. 

Post Situation: 

RosettaDock 4.0 ambiguous ERROR

Category: 
Docking

Hi all,

I'm running a protein-protein docking (both partners are ~240 res. monomers) and I get the following error:

---------------------------------------------------------------
[ ERROR ]: Error(s) were encountered when running jobs.
1 jobs failed;
Check the output further up for additional error messages.
---------------------------------------------------------------

Post Situation: 

Rosetta-foldtree and docking

Category: 
Docking

Hello everyone,

I'm using Rosetta's docking_ Protocol does the docking of two proteins (one protein is double chain and the other protein is single chain), but when I run the command:

$ROSETTA/main/source/bin/docking_protocol.static.linuxgccrelease @flag_local_docking

It explains that "Cannot compute center of mass of zero residues! ". How to solve this problem?

My parameter settings are as follows:

Post Situation: 

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