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 784
rna_denovo 2861
fixbb 1
tox_dock 87
snug_dock 279
pka 437
peptiderive 2545
symmetric_docking 1071
ligand_docking 2467
make_exemplar 160
mp_lipid_acc 1171
docking2 6578
stepwise 29

GrayLab.Jazz

Protocol jobs
supercharge 947
rna_denovo 435
snug_dock 131
pka 251
ligand_docking 1158
tox_dock 22
docking2 2934
symmetric_docking 14
docking 3424
vip 393
sequence_tolerance 861
beta_peptide_design 25
meta 3
mp_lipid_acc 197
antibody 1521
ncbb_design 43
erraser 225

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 1274
GrayLab.Jazz 1503
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 18,589 626,579 33.7 296 4,802.8
rna_denovo Feb 2012 3,370 184,577 54.8 274 7,896.7
erraser Oct 2012 248 357 1.4 2 2.3
beta_peptide_design Nov 2012 26 2 0.1 1 0.0
supercharge Nov 2012 1,123 325 0.3 14 4.0
antibody Dec 2012 5,607 2,703,844 482.2 78 42,322.1
ncbb_design Dec 2012 49 6,159 125.7 0 85.6
sequence_tolerance Jan 2013 909 61,791 68.0 27 1,153.7
vip Mar 2013 439 2,179 5.0 4 36.7
symmetric_docking Aug 2013 1,140 182,519 160.1 12 497.3
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,240 10,102 8.1 28 194.3
ligand_docking Jan 2014 5,221 224,227 42.9 248 8,449.1
peptiderive May 2015 3,054 419 0.1 166 9.8
make_exemplar Sep 2015 209 14 0.1 7 0.0
tox_dock May 2016 142 145,979 1,028.0 14 7,150.9
snug_dock May 2016 523 328,654 628.4 28 20,566.6
mp_lipid_acc Aug 2016 1,376 10 0.0 206 1.6
stepwise Dec 2017 29 2,930 101.0 0 81.4
Total 43370 4,481,356 144.7 1,405 93,254.9


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):