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Per residue total score

Category: 
Scoring

Hi Rosetta Team!

I read from the scoring tutorial this line

A rule of thumb: -1 to -3 REU per residue is typical while scoring a refined structure with ref2015 score function.

May I know if it is possible to directly call this per residue total score during scoring?

Thank you.

Post Situation: 

Applying dihedral constraints to TRP dipeptide minimization. ACE/NME termni.

Category: 
Constraints

I have been attempting to apply dihedral constraints to the phi/psi angles of a small TRP dipeptide minimization without success. From the output pdb it appears the second dihedral constraint is not applied to the CN atom of the Acetylayted end cap. This dihedral angle shifts to 150 degrees despite a very strong constraint. I suspect Rosetta might be selecting the first CN atom it finds which would be the methyl carbon on the NME cap rather than the carbonyl carbon on the ACE group of the same name.

Post Situation: 

SnugDock Partners parameter

Category: 
Docking

Hello everyone,

I recently read in the manual that "partners" parameter must be set in the order of how they are set in the PDB. However, I was unaware of this previously and set my partners as LH_A, while my pdb files are ordered as HLA. The docking is working and has been running for a couple days, but I am wondering if this will affect the results of the docking?

Post Situation: 

Output and Input Tutorial

Category: 
Scoring

 After I had moved to the input_file directory following the Controlling Input and Output in Rosetta,I ran,

$ROSETTA3/bin/score_jd2.default.linuxgccrelease -in:file:s input_files/1qys.pdb

and I got the output,

-bash: /bin/score_jd2.default.linuxgccrelease: No such file or directory. 

What would you recommend doing?

Post Situation: 

Compiling Rosetta using Scons.py

Category: 
Compilation

Hello,

I downloaded Rosetta 3.12 linux + binaries and I noticed the the bin folder contained all 0 kb linuxgccrelease files. I have tried to compile Rosetta using the provided SCons version that was provided with Rosetta 3.12 linux + binaries download. I followed the "Compiling Rosetta" instructions from the user guide and executed the command 

$ python3 ./scons.py -j 4 mode=release bin

Post Situation: 

How to add new Movers to Rosetta

Category: 
Docking

I have a folder with some files to define a mover 'AddEncounterConstraintMover' the Path of the folder is  under 'source/src/devel'. What should I do to make Roseta 'read' the files and apply the mover when its runninng? I have all .hh, .cc, .fwd.hh and Creators files.

Post Situation: 

Antigen-antibody modeling

Category: 
Loop Modeling

I was getting an error while running the snugdock that I solved using the clean_pdb.py command. When I ran flags file using snugdock @flags file, another error came up saying "the antibody doesn't contain start or end of residue of cdr loop H1. Please check pdb is renumbered properly and passed -numbering scheme option matched the PDB.This could also mean missing density in the cdr loop. Loop modeling application can be used to fill missing residues."

Post Situation: 

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