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 277
rna_denovo 1189
fixbb 1
tox_dock 3
snug_dock 120
pka 295
peptiderive 1340
ligand_docking 1339
make_exemplar 103
mp_lipid_acc 63
docking2 4825
symmetric_docking 968

GrayLab.Jazz

Protocol jobs
supercharge 848
rna_denovo 435
snug_dock 70
pka 181
ligand_docking 613
tox_dock 13
docking2 2159
symmetric_docking 14
docking 3424
vip 362
sequence_tolerance 674
beta_peptide_design 19
meta 3
mp_lipid_acc 52
antibody 1365
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 996
GrayLab.Jazz 1341
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 16,010 586,373 36.6 265 10,547.6
rna_denovo Feb 2012 1,673 135,349 80.9 30 910.2
erraser Oct 2012 231 343 1.5 3 4.4
beta_peptide_design Nov 2012 19 2 0.1 0 0.0
supercharge Nov 2012 991 297 0.3 24 4.4
antibody Dec 2012 4,867 2,339,659 480.7 98 44,291.2
ncbb_design Dec 2012 42 5,641 134.3 0 1.0
sequence_tolerance Jan 2013 710 54,215 76.4 18 1,558.0
vip Mar 2013 400 1,851 4.6 10 71.7
symmetric_docking Aug 2013 1,035 178,867 172.8 18 957.9
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,024 8,667 8.5 39 297.0
ligand_docking Jan 2014 3,456 172,702 50.0 91 6,705.3
peptiderive May 2015 1,827 354 0.2 98 12.6
make_exemplar Sep 2015 150 14 0.1 6 0.0
tox_dock May 2016 42 86,920 2,069.5 3 8,469.1
snug_dock May 2016 298 165,835 556.5 28 15,909.5
mp_lipid_acc Aug 2016 123 1 0.0 9 0.1
Total 32974 3,737,780 204.6 740 89,740.0


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):