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relax.linuxgccrelease in multiple processors

Category: 
Structure prediction

Hi, sorry if my question is naive.  But I would like to aks if it is possible to run  the next command in multiple processors and not in just one?

relax.linuxgccrelease -s model1.pdb -nstruct 1000

 

regards

and thank you

Post Situation: 

Error in Ubuntu 20.10

Category: 
Compilation

Hi, sorry for disturbing you but  I have problems installing Rosetta.  In Ubuntu 20.10.

I have also tried with clans, but it did not work.  I follow all the classical error list, but still no success. Also I am not sure what is the error. 

Could someone help me, please?

regards

JP

Post Situation: 

constraints in Rosetta ligand docking (AddorRemoveMatchCsts, Addconstraints Mover, and ConstraintSetMover)

Category: 
Constraints

Hello,

I am performing Rosetta ligand docking for an enzyme A to a ligand X which should be covalently bound to a small protein B.  I need to impose this covalent bond and some other catalytic constraints (distances between ligand and receptor's residues and also the distances between two residues of the receptors )  to my ligand docking.  I  found several movers for adding constraints including AddorRemoveMatchCsts, Addconstraints Mover, and ConstraintSetMover, but I am confused about which one works with Rosetta Ligand docking. 

Post Situation: 

[Solved] RosettaAntibody3 - Grafting step is failing to detect H3 from the input sequence

Category: 
Structure prediction

I am trying to run RosettaAntibody3 to build an Fv hhomology model from an input sequence. I am following the documentation form here.

I am using the command: 

antibody.static.linuxgccrelease \
  -database $ROSETTA_DATABASE \
  -fasta /mnt/data/input/myinput.fasta \
  -nstruct 1 \
  -out:path:all /mnt/data/output/output-graft/ \
  -detect_disulf false

 which fails fairly quickly with the error:

Post Situation: 

Error compiling mpi under Big Sur

Category: 
Compilation

Using updated Xcode and a fresh install of macos Big Sur, I get the following error (below) when compiling using: "./scons.py -j 12 mode=release bin extras=mpi"

 Open-mpi is installed (via homebrew) and if I run "ompi_info" all the info seems correct (see atached .txt). Any suggestions would be appreacited. Thanks!

-Andrew

 

Post Situation: 

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