The problem hasn't been solved
It appears that rosie allows .edu email having github account only.
Can I use rosie with .gov email github account as well?
Hi all,
I am new to Rosetta and using various Rosetta protocols, primarily remodel and pmutscan, to assess the impact of various mutations on protein stability. I would like to model the protein and associated mutations at acidic pH as this may affect salt bridge formation and overall REU score.
Hi all,
I'm trying to use simple_cycpep_predict with the option thioether_lariat for cyclization_type but seem to be running into a problem. Based on what I read in the help docs, "thioether_lariat" should be an option that is possible, but when I tried to use it, I get:
ERROR: Illegal value specified for option -cyclic_peptide:cyclization_type : thioether_lariat
Is this an option that got removed and the help pages just weren't updated? Or am I missing something? I am attaching the the sequence that I am trying to model.
I have Debian BUllseye installed on my Linux platform
I have installed pyrosetta 2022.09+release.433f0fc py39_0 and pymol-open-source 2.5.0 py39h20a8f2e_4 in a conda environment (Python-3.9.10).
I ma following the PyRosetta - PyMOL_Mover Tutorial and am having a strange problem.
Whew I paste 'cd /home/comp/Miniconda3/envs/PyRosetta/lib/python3.9/site-packages/pyrosetta' followed by 'run PyMOLPyRosettaServer.py' separately I get PyMOL <---> PyRosetta link started! (belwo)
Hi, sorry for disturbing you but I have problems about samll ligand docking in Ubuntu 20.04. It occurs errors when I followed jens Meiler's toturial about small ligand docking.
command line:
$ ~/Desktop/rosetta_workshop/rosetta/main/source/bin/rosetta_scripts.mpi.linuxgccrelease @options.txt -nstruct 5 -database ~/Desktop/rosetta_workshop/rosetta/main/database/
I am using min_mover (lbfgs_armijo_nonmonotone) for minimizing the energy function of a protein for structure prediction in pyrosetta.
In trying to get an energy plot over iterations, i set min_mover.max_iter(1) to 1. After each iteration of min_mover, I pause the optimization, store the current energy, and continue.
Dear colleagues, I try to set parallelization by mpi, using the follow command: "./scons.py bin mode=release extras=mpi ".
them I got back:
Hi All,
I am building a Rosetta(rosetta_bin_linux_2021.16.61629_bundle) and running the simulation that my customer offerd.
One thing I really want to know and ask you guys is that the performance is okay and how to imporve more.
Here are my environments.
Hi All,
I am using Rosetta 3.9 from the TACC for my Matcher run and want to use alternative protonation states of the amino acids I am working with, such as deprotonated cysteine CYZ or delta-Nitrogen-protonated histidine, His_D. Rosetta already has these residues defined in its database but Matcher can't recognize them at all. Does anyone know how I could approach this problem?
Thanks for the help in advance!