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 532
rna_denovo 1237
fixbb 1
tox_dock 12
snug_dock 183
pka 355
peptiderive 1647
ligand_docking 1585
make_exemplar 121
mp_lipid_acc 277
docking2 5876
symmetric_docking 1022

GrayLab.Jazz

Protocol jobs
supercharge 876
rna_denovo 435
snug_dock 95
pka 205
ligand_docking 685
tox_dock 14
docking2 2541
symmetric_docking 14
docking 3424
vip 380
sequence_tolerance 715
beta_peptide_design 20
meta 3
mp_lipid_acc 195
antibody 1436
ncbb_design 39
erraser 215

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 1135
GrayLab.Jazz 1412
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 17,467 609,494 34.9 336 6,213.8
rna_denovo Feb 2012 1,721 140,539 81.7 19 1,016.8
erraser Oct 2012 234 344 1.5 2 1.3
beta_peptide_design Nov 2012 20 2 0.1 0 0.0
supercharge Nov 2012 1,020 312 0.3 19 3.9
antibody Dec 2012 5,200 2,504,220 481.6 115 47,313.3
ncbb_design Dec 2012 43 5,645 131.3 0 0.7
sequence_tolerance Jan 2013 751 55,977 74.5 18 1,239.7
vip Mar 2013 419 2,086 5.0 7 47.3
symmetric_docking Aug 2013 1,091 180,441 165.4 15 618.7
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,109 9,414 8.5 22 204.8
ligand_docking Jan 2014 3,793 174,009 45.9 90 1,284.2
peptiderive May 2015 2,139 377 0.2 101 11.8
make_exemplar Sep 2015 169 14 0.1 5 0.0
tox_dock May 2016 52 105,225 2,023.6 1 3,117.9
snug_dock May 2016 390 229,597 588.7 26 15,141.6
mp_lipid_acc Aug 2016 480 4 0.0 61 0.6
Total 36174 4,018,390 202.9 837 76,216.5


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):