Docking

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

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 Everyone, I was wondering if anyone knows how to set path for saving output pdb files in Rosetta protein docking. I was using following command line to run protein docking, didn't found any saved output pdb files.

/path to/rosetta_2014.35.57232_bundle/main/source/bin/rosetta_scripts.default.linuxgccdebug @docking.options -parser:protocol docking_full.xml -database /path to/database/ -out:suffix _full -nstruct 50 > docking_full.log -restore_pre_talaris_2013_behavior

Docking.option file

Hi,
I am doing unbound docking and i believe I have enough biological info to locate the binding interface and rough orientation. Doing the docking manually (or with the low res protocol) suggests that there's some conformational change in the interface that I would like to model. I'm guessing this is not something that I can accomplish with the old docking_protocol commandline app. I did see a flexible_bb_docking option but that appears to be undocumented? Maybe I can do this via the ensembles options?