About ROSIE

ROSIE is a web front-end to the Rosetta 3.x software suite, a molecular modeling software package that provides experimentally tested and rapidly evolving tools for the 3D structure prediction and high-resolution design of proteins, nucleic acids, and a growing number of non-natural polymers.

ROSIE is an easy-to-use web interface for selected Rosetta protocols.

The ROSIE framework is developed by Sergey Lyskov at GrayLab at JHU and has been described in a paper in PLoS One. Apps are developed in various labs participating in the Rosetta Commons. Please see each app’s documentaion for details and contact information. Primary user support contact is through the Rosetta Forum. If you have a question or wish to report a problem with particular ROSIE app, please use the ROSIE sub forum For questions about a Rosetta protocol in general, please use Rosetta Application Forum.



Some ROSIE Statistics:

GrayLab.Rosetta

Protocol jobs
rna_redesign 76
docking 403
antibody 411
rna_denovo 1203
fixbb 1
tox_dock 6
snug_dock 152
pka 326
peptiderive 1462
ligand_docking 1398
make_exemplar 112
mp_lipid_acc 75
docking2 5319
symmetric_docking 986

GrayLab.Jazz

Protocol jobs
supercharge 863
rna_denovo 435
snug_dock 79
pka 185
ligand_docking 641
tox_dock 13
docking2 2316
symmetric_docking 14
docking 3424
vip 367
sequence_tolerance 697
beta_peptide_design 19
meta 3
mp_lipid_acc 52
antibody 1401
ncbb_design 38
erraser 213

TACC.Stampede

Protocol jobs
fixbb 1
snug_dock 80
pka 533
peptiderive 368
ligand_docking 1397
make_exemplar 45
tox_dock 24
docking2 4740
antibody 2848
Back-end users
GrayLab.Rosetta 1060
GrayLab.Jazz 1369
TACC.Stampede 1113

App introduced total jobs accumulated usage
in CPU-h
average CPU-h
per job
<jobs/month>
6-month average
<CPU-h/month>
6-month average
docking Jan 2012 16,757 595,069 35.5 278 6,233.9
rna_denovo Feb 2012 1,687 136,400 80.9 29 966.2
erraser Oct 2012 231 343 1.5 2 2.2
beta_peptide_design Nov 2012 19 2 0.1 0 0.0
supercharge Nov 2012 1,009 299 0.3 23 3.9
antibody Dec 2012 5,053 2,434,354 481.8 95 42,018.9
ncbb_design Dec 2012 43 5,641 131.2 0 1.0
sequence_tolerance Jan 2013 738 54,810 74.3 15 1,321.9
vip Mar 2013 410 1,901 4.6 7 45.0
symmetric_docking Aug 2013 1,056 179,362 169.9 15 685.8
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,061 8,935 8.4 21 199.8
ligand_docking Jan 2014 3,547 173,280 48.9 84 3,963.0
peptiderive May 2015 2,000 359 0.2 94 10.7
make_exemplar Sep 2015 160 14 0.1 6 0.0
tox_dock May 2016 46 93,846 2,040.1 0 1,221.4
snug_dock May 2016 353 197,703 560.1 21 10,135.1
mp_lipid_acc Aug 2016 135 1 0.0 6 0.1
Total 34381 3,883,008 202.6 696 66,809.0


Users:

Jobs:

Average waiting time in queue:

Jobs by Back-end:

Monthly CPU Usage (in CPU-hours):

CPU Demand (cumulative CPU-h averaged over 6 months):

Total CPU Usage by Back-end (in CPU-hours):

Total CPU Usage (in CPU-hours):