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
supercharge 45
rna_denovo 4178
snug_dock 336
pka 539
peptiderive 2929
ligand_docking 3030
make_exemplar 168
tox_dock 185
symmetric_docking 1152
rna_redesign 76
docking 403
fixbb 1
docking2 7422
mp_lipid_acc 1668
stepwise 53
antibody 1123

GrayLab.Jazz

Protocol jobs
supercharge 1102
rna_denovo 435
snug_dock 155
pka 279
ligand_docking 1344
tox_dock 67
docking2 3198
symmetric_docking 14
docking 3424
vip 484
sequence_tolerance 985
beta_peptide_design 26
meta 3
mp_lipid_acc 260
antibody 1617
ncbb_design 46
erraser 243

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 1433
GrayLab.Jazz 1593
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 19,743 653,434 33.1 246 5,547.0
rna_denovo Feb 2012 4,707 194,411 41.3 272 3,299.2
erraser Oct 2012 267 370 1.4 3 2.5
beta_peptide_design Nov 2012 26 3 0.1 0 0.1
supercharge Nov 2012 1,325 404 0.3 34 13.3
antibody Dec 2012 6,017 3,050,899 507.0 100 72,031.5
ncbb_design Dec 2012 50 6,535 130.7 0 62.7
sequence_tolerance Jan 2013 1,033 72,786 70.5 22 1,935.6
vip Mar 2013 541 3,005 5.6 15 141.9
symmetric_docking Aug 2013 1,227 185,276 151.0 15 507.3
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,369 11,413 8.3 26 252.8
ligand_docking Jan 2014 5,980 271,751 45.4 192 10,416.0
peptiderive May 2015 3,439 466 0.1 76 10.3
make_exemplar Sep 2015 216 14 0.1 1 0.0
tox_dock May 2016 299 278,297 930.8 36 25,568.8
snug_dock May 2016 652 436,715 669.8 25 26,891.1
mp_lipid_acc Aug 2016 1,936 16 0.0 204 1.8
stepwise Dec 2017 53 4,603 86.9 0 49.9
Total 48956 5,171,088 141.7 1,267 146,731.7


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):