The problem hasn't been solved
Hello, I have had some problems with the compilation of Rosetta. I'm using Ubuntu 22.04.2 LTS. For compilation I used the release mode.
When I type: ./scons.py -j1 mode=release bin (OR) ./scons.py mode=release bin, I'm getting the following error:
scons: Reading SConscript files ...
Hello,
I was trying to work with the "calculate protein-protein ddG" tutorial. The tutorial comes with a resfile for mutating an Alanine with Tryptophan at residue 98. Following the steps gives, I get a ddG value of -6.6533 REU.
However, when I replace the line "98 D PIKAA W" with "98 D PIKAA A" (i.e. esentially replacing the alanine with alanine), I'm still getting a ddG value of 6.6643 REU. Can anyone point out why I might be getting a non-zero ddG even though I'm not even 'mutating' the proteins.
Regards,
top-gun98
Hi
I'm trying to access ROSIE webserver, but my institutional email address is not recognized.
Can you fix this, please?
Institution: Instituto Superior Técnico (Universidade de Lisboa)
Domain: @tecnico.ulisboa.pt
Best regards,
Ana
Dear all,
I am trying to access the Rosie webserver, but apparently it is not recognizing my institutional email.
Institution: Instituto Superior Técnico, Universidade de Lisboa
Domain: @ctn.tecnico.ulisboa.pt
Hello,
I am running a design xml script and for some of my systems the run crashes with the following error:
I am trying to score how well different protein models fit into one electron desity map. I have tried using the score_jd2 tool with the flags:
"-database /programs/PDB/rosetta-3.13/main/database -in:file:s ./structures/*.pdb -edensity:mapfile ./emd_12705.map -edensity:mapreso 3.6 -edensity::realign min -cryoem_scatterers true -grid_spacing 2.0 -fastdens_wt 35.0"
Hello, i am a masters student trying to play around with rosetta. And i have a project in mind. I have two protein structures: nanocages. each with 60 monomers but the chains are a little bit different with different aa profiles. Now what I want to do is to make a structure with the backbone conformation profile of one of the nanocages but with the amino acid profile of the other one. How do i go about doing this? I'm sorry if I wasn't clear english is not my native language.
Thanks for your help in advance.
The tutorial (https://nbviewer.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/14.00-RNA-Basics.ipynb) claims that using:
Hello, I am using rosetta docking_protocol compiled with Intel MPI (from Intel® oneAPI Toolkits 2020), and I have some problems / bug reports.
I requested 3 output poses with '-nstruct 3' and I ran 'mpirun -n 3 docking_protocol.mpi.linuxiccrelease ...' to start one master rank and two slave ranks. However, when one slave (rank 2) finished its jobs and master will send spin down signal:
Hello,
I am trying to calculate the per residue SAP scores of a protein structure using Rosetta scripts. The .xml script I am using is shown below.
<ROSETTASCRIPTS>
<SCOREFXNS>
</SCOREFXNS>
<RESIDUE_SELECTORS>
</RESIDUE_SELECTORS>
<FILTERS>
</FILTERS>
<SIMPLE_METRICS>
<PerResidueSapScoreMetric name="sapscore"/>
</SIMPLE_METRICS>