The problem hasn't been solved
Dear Sir and Madam,
I would like to ask you regarding the ways to improve the performance for either FragmentPicker and AbRelax applications.
Hi all,
I'm trying to build Rosetta (rosetta.source.release-296 and 314) in CentOS 7 in Virtual Machine (VM) with MPI 4.1.3 and gcc 8.3.1. This is the first time that I try to compile Rosetta in a VM.
The command line is as below:
./scons.py mode=release bin extras=mpi
After several minutes, I have the following error message:
Hi there,
I submitted the Rosetta RNP_DDG job (№102473) las Thursday. My input was a cleaned .pdb of the protein and the RNA chain and I assume that the RNP_DDG would relax the structure and perform RNP_DDG afterwards. However, the job was terminated with an error message "Starting structure was not relaxed!".
Dear all,
I have two issues with Rosetta and I would really appreciate your help.
The first one is in InterfaceDdGMover
"In InterfaceDdGMover, there are no valid chains to translate when unbinding!"
The second one on another system is in ResfileReader:
"On line 3, the pose does not have residue with chain=B, PDBnum=417."
Thank you very much,
Best regards,
Asaf
Hi,
I work at the APHP, a university hospital linked to the university of Paris, and in a research unit of INSERM, the French national institute of health and medical research. The email addresses of these 2 organizations are not listed: aphp.fr and inserm.fr. Is it possible to add them ?
Thanks
Hi everyone,
The program reported error after I typed in ~/rosetta/source/bin/rosetta_scripts.linuxgccrelease @options
[END_BACKTRACE]
[FILE]: src/protocols/rosetta_scripts/RosettaScriptsParser.cc
[LINE]: 1203
[START_MESSAGE]
Input rosetta scripts XML file "dock.xml" failed to validate against the rosetta scripts schema. Use the option -parser::output_schema <output filename> to output the schema to a file to see all valid options.
Hi
I've been wondering why docking protocol moves protein which i dont want to be moved
so in my case, I have a complex PDB file with chain A, B, and C.
A is a small protein, and B and C is neighboured together, and C is the receptor
What i want to do is docking A to C, while B and C is not moved or designed.
so i made a xml script like below:
Hi everyone！I try to install rifdock from but get many errors. please help!
command line: make -j8 rif_dock_test rifgen
results:
Hi everyone,
I want to dock a transition state model at the zinc site of human carbonic anhydrase II and redesign the protein. According to the paper (Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis. Nat Chem Biol. 2012 Feb 5;8(3):294-300. doi: 10.1038/nchembio.777.), I use ~/rosetta/tools/zinc_site_redesign module to do my job. Cleaning of PDB was successful, but when I tried to align the protein PDB with my transition state model, error occured: