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 33
rna_denovo 1118
fixbb 1
tox_dock 3
snug_dock 95
pka 275
peptiderive 1088
ligand_docking 1236
make_exemplar 88
mp_lipid_acc 57
docking2 4623
symmetric_docking 934

GrayLab.Jazz

Protocol jobs
supercharge 759
rna_denovo 435
snug_dock 50
pka 153
ligand_docking 516
tox_dock 12
docking2 1804
symmetric_docking 14
docking 3424
vip 338
sequence_tolerance 607
beta_peptide_design 19
meta 3
mp_lipid_acc 47
antibody 1274
ncbb_design 36
erraser 201

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 917
GrayLab.Jazz 1263
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 15,522 571,900 36.8 241 9,652.1
rna_denovo Feb 2012 1,600 134,438 84.0 23 822.7
erraser Oct 2012 219 336 1.5 1 4.6
beta_peptide_design Nov 2012 19 2 0.1 0 0.0
supercharge Nov 2012 896 289 0.3 12 3.3
antibody Dec 2012 4,646 2,185,752 470.5 85 51,319.4
ncbb_design Dec 2012 40 5,641 141.0 0 1.0
sequence_tolerance Jan 2013 653 47,518 72.8 13 670.4
vip Mar 2013 392 1,730 4.4 8 61.7
symmetric_docking Aug 2013 1,004 176,941 176.2 16 812.0
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 976 8,185 8.4 48 334.4
ligand_docking Jan 2014 3,253 166,342 51.1 78 6,261.3
peptiderive May 2015 1,566 345 0.2 71 13.4
make_exemplar Sep 2015 135 14 0.1 5 0.2
tox_dock May 2016 41 86,518 2,110.2 3 8,410.9
snug_dock May 2016 247 139,780 565.9 24 13,773.9
mp_lipid_acc Aug 2016 112 1 0.0 12 0.1
Total 31397 3,526,422 207.4 640 92,141.4


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):