The problem hasn't been solved
Hello!
does anybody know where i can find this: fragment_picker.boost_thread.linuxgccrelease ?
I downloaded rosetta_2014.35.57232_bundle.tgz but the folder rosetta_2014.35.57232_bundle/main/source/bin is empty.
Thanks in advance
Hello!
I am trying to replicate an old experiment and I'd need to generate fragments using old structures only. How can I do that?
at the moment I created a database of old structures and I downloaded the rosetta fragment picker tool so I am trying to find out what internal database of rosetta I should update, any suggestions?
Thanks a lot in advance
If you are trying to dock two proteins, using a global search, with no knowledge of correct answer (native structure) , how does one judge a docking success?. When reporting benchmark results, for example, the native (or mock-native) structure is used to rmsd against, and the definition of docking funnel is based on I_rmsd, so judgement of docking success is always based on some known (native) structure (or correct answer). Starting with just two proteins arbitrarily place apart.
Greetings, I've been following the "design with non-canonical aa" demo (located on demos/public/design_with_ncaa) in order to set parameters for a custom residue "CYM", which is a deprotonated cysteine. Yet I got stuck in the last step namely, when I try to convert my modified .mol file to params using:
"python molfile_to_params_polymer.py cym.mol --clobber --polymer --no-pdb --name CYM -k cym.kin"
it returns:
Hi,
I am trying to Delete / Cancel jobs on Rosie that I suspect will fail, so I want to save running time and send another job.
But when I click on the Delete / Cancel links on my account fglaser_rosie, nothing happens....
What I am doing wrong?
Best regards,
Fabian
Technion, Haifa
Israel
Hi
Iam a newby with Rosie, I sent a PDB and sdf file with many molecules for Rosie docking, and I got the following input error message:
Job 「№15623」has failed with the message:
molfile_to_params step failed, please double check your input files!
I searched the documentation and for what I know the input PDB and the SDF where in correct format, but of course I maybe wrong...
Could you please explain me what exactly is wrong with the input and how to correct it?
My Rosetta build fails with: "scons: building terminated because of errors." However the errors really only appear to be warnings: "cc1plus: all warnings being treated as errors" (see below) How can I get scons to treat warnings as warnings and not as errors?
Dear all,
I run ligand docking protocol to dock a small chemical on my protein.
I set up the inital position of ligand is "-start_from 1.36 50.07 23.4".
Follow the document, the nbr_atom of the ligand is chosen near the inital position of ligand. But when I check the log file, I saw the nbr_atom of the ligand is far away from the inital position of ligand: 44.03500058226830 112.4592971897935 22.25074880071337
4.886590717968414 0.06526207982382815 17.92231676318689
HI,
I was wondering what criteria Rosetta uses to determine when it switches from centroid to full atom mode? Is it a set number of decoys, a target energy value, radius of gyration or something else?
Thanks
Mark