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When posting build/install question please specify the following information about your system and PyRosetta version, this will allow us to answer your questions more accurate and faster:

- OS type,
- OS version
- OS arch (32 or 64bit)
for example: Ubuntu Linux 10.04 32Bit or Mac OS X 10.6

- Python version
- Python arch (32 or 64bit) if different from OS

- Version of PyRosetta including SVN revision number.

Thank you!

Post Situation: 

setting timeout option in MPI run

Category: 
Docking

Hi

I'm now trying to set timout option in my rosetta MPI run

which means that after certain period of time, whole process are automatically stopped

I run with following commands

mpirun -np 10 rosetta_scripts.mpi.linuxgccrelease @options

where options is

Post Situation: 

Global Docking with output analysis RMS

Category: 
Scoring

Hello, Rosetta team

I performed global docking for two proteins and got the output.sc file, there are different "RMS"s reported, Irms, Irms_leg, cen_rms, rms, and st_rmsd, what values are more useful for analysis?  I wonder if term "rms" is calcualted based on what? since I started with two far away proteins for global docking, I wonder if this rms is calcualted based on the intinial structure?

I did not provide native structure for global docking. 

Post Situation: 

I am a PhD student in biochemistry at the Institute of Biochemistry and Biophysics (IBB) in Tehran, Iran, but my GitHub accou

Category: 
ROSIE

Your GitHub account does not have verified academic email address! Please visit https://github.com/settings/emails and setup it! If your institution _is academic_ please contact our support forum at [https://www.rosettacommons.org/forums/rosie/rosie-general] and provide your institution name and domain address.

Post Situation: 

Rigidifying ligand

Category: 
Docking

I have a ligand with which I am trying to design a pocket in a synthetic protein.

Now the ligand doesn't have any rotatble bonds, because it's carbon chain is full of conjugated bonds,

However it keeps isomerizing some of the bonds,

is there any way I could completly fix the carbon chain?

Post Situation: 

Errors in RosettaAntibody distributed static linux binary

Category: 
Compilation

Hello,

I am attempting to install a modern version of the RosettaAntibody protocol, and I’m encountering errors with the Linux binary of the protocol provided for commercial download (antibody.static.linuxgccrelease). For reference, I am using the latest available weekly release: 2023.45 from November 2023.

While other protocols from this binary distribution are working correctly in our hands, the RosettaAntibody is failing with the below compiler version error:

 

Post Situation: 

Cartesian_ddG mutfile error

Category: 
Design
Constraints

hello gus,

When i use catesian-ddg for protein stability, i want saturation site by all amino acied. but I Set  "1 A ALLAA" OR "C 1 ALLAA"(first site is  cys), all error.

and i type "total 9 

1

C 1 A 

C 1  W 

C 1  F 

C 1  I
.....  " Enumerative method is OK. So, how I set mutfile more easy and clearly ? help!

Post Situation: 

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