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The problem hasn't been solved
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.
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:
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!
Dear Rosetta experts,
I have been using rosetta mainly for refinement and iterative local rebuilding into cryo-em densities at reolustions of ~3-3.5 Angstrom. I am wondering how (or if it is possible) to combine and complete a set of backbone fragments predicted by external software into a single backbone trace using rosetta. To make matters somewhat more complicated I would need to do this without any sequence information using only polyA fragments.
I want to insert/delete residues in sequences. My goal is to take mutant sequences, have them become similar sequences of the WT and focus on each mutation. Is that possible?
Example: ABABA, and I want to insert "C" into the third position so it would look like this ---> ABCABA
My name is Jong hui Hong
I'd like to rescore docking result structure made by Rosetta-script application with InterfaceAnalyzer
But InterfaceAnalyzer application binary couldn't be found in binary folder ( rosetta-source/main/source/bin) .
Is there any other folder for that application ?
It seems that InterfaceAnalyzer source is there in Rosetta source
Can there be something wrong with my rosetta installation?
Any kind of suggestion or answer would be appreciated