Author: Sergey Lyskov
Provide means to submit Rosetta cluster jobs from Mac/Linux desktop client
To use this application you will need to download latest build for supported platforms could be downloaded from http://graylab.jhu.edu/download/ui/archive/ui/ (ask in #ui RosettaCommons Slack channel for credentials) and unpack archive on your desktop machine.
When running application for the first time open Preferences
menu (command-,) and setup Rosetta Cloud user name and password and preferred PDB viewer. (if you do not have Rosetta Cloud account yet - ask for one #ui RosettaCommons Slack channel )
Workbench application allow you to submit Task which consist from list of individual Rosetta jobs runs for particular Rosetta version. Each job will be run sequentially from left-most-tab to right-most tab and all previous job guarantee to be finished before next job started.
Rosetta version could filed in TaskSubmit dialog could take following values:
master
. In this case back-end process will use somewhat recent build for this branch (or compile the most recent version for this branch if no previous build is available). Build used will guarantee to be not older then a five-days old.Name of then branch with colon at the end, like release:
. In this case back-end with always use the latest available commit for specified branch.
Git SHA1, like bdd325a0ef3d5d53deef57c12be5ebc859c47304
. In this case back-end will try to build specified revision.
When submitted Task started all input files will be places into input/
directory. So for example, if you provided my-pdb.pdb
file in you input file set then it could be references in your flag file as input/my-pdb.pdb
. Output of previously completed jobs will be placed into <job-name>/
dir. So when you submit multi-stage Task with stages named as 1
, 2
, 3
you cold access results of previously completed jobs as 1/result-of-job-1-file.extension
, 2/result-of-job-2-file.extension
, 3/result-of-job-3-file.extension
.
open
from pop-up menu or double click on a file*.score
files: right click on file then select open
from pop-up menu or double click on a file. In ScoreView you can select which score term to use on X/Y axes, hover over points to view individual scores and double click on point to open particular decoy in your PDB viewer.save-as
export all files
button on TaskView pagerosetta_cloud.py
script from https://github.com/RosettaCommons/tools.devel/tree/master/rosetta_cloud (see script readme for documentation of how to use it)