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 329
rna_denovo 1191
fixbb 1
tox_dock 3
snug_dock 133
pka 307
peptiderive 1367
ligand_docking 1362
make_exemplar 107
mp_lipid_acc 67
docking2 5077
symmetric_docking 973

GrayLab.Jazz

Protocol jobs
supercharge 856
rna_denovo 435
snug_dock 75
pka 183
ligand_docking 630
tox_dock 13
docking2 2241
symmetric_docking 14
docking 3424
vip 366
sequence_tolerance 682
beta_peptide_design 19
meta 3
mp_lipid_acc 52
antibody 1382
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 1020
GrayLab.Jazz 1352
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 16,360 590,987 36.1 285 8,867.6
rna_denovo Feb 2012 1,675 135,387 80.8 29 888.5
erraser Oct 2012 231 343 1.5 2 3.9
beta_peptide_design Nov 2012 19 2 0.1 0 0.0
supercharge Nov 2012 1,001 298 0.3 23 4.1
antibody Dec 2012 4,945 2,383,199 481.9 95 38,088.1
ncbb_design Dec 2012 42 5,641 134.3 0 1.0
sequence_tolerance Jan 2013 720 54,431 75.6 17 1,563.7
vip Mar 2013 405 1,876 4.6 8 48.7
symmetric_docking Aug 2013 1,041 178,956 171.9 16 831.0
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,038 8,717 8.4 35 273.2
ligand_docking Jan 2014 3,496 173,095 49.5 84 6,517.3
peptiderive May 2015 1,857 355 0.2 95 11.6
make_exemplar Sep 2015 154 14 0.1 6 0.0
tox_dock May 2016 42 86,920 2,069.5 0 758.2
snug_dock May 2016 317 180,228 568.5 23 11,958.0
mp_lipid_acc Aug 2016 127 1 0.0 5 0.1
Total 33546 3,801,140 205.1 723 69,815.2


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):