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 53
rna_denovo 4206
snug_dock 381
pka 563
peptiderive 3022
ligand_docking 3118
make_exemplar 170
tox_dock 193
symmetric_docking 1166
rna_redesign 76
docking 403
fixbb 1
docking2 7516
mp_lipid_acc 1668
stepwise 56
antibody 1176

GrayLab.Jazz

Protocol jobs
supercharge 1108
rna_denovo 435
snug_dock 190
pka 306
ligand_docking 1447
tox_dock 71
docking2 3302
symmetric_docking 14
docking 3424
vip 496
sequence_tolerance 1007
beta_peptide_design 26
meta 3
mp_lipid_acc 261
antibody 1668
ncbb_design 46
erraser 248

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 1459
GrayLab.Jazz 1622
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 19,911 657,937 33.0 228 5,329.8
rna_denovo Feb 2012 4,735 194,854 41.2 237 1,654.8
erraser Oct 2012 271 379 1.4 3 3.6
beta_peptide_design Nov 2012 26 3 0.1 0 0.1
supercharge Nov 2012 1,338 406 0.3 35 13.5
antibody Dec 2012 6,111 3,112,531 509.3 99 66,397.3
ncbb_design Dec 2012 50 6,535 130.7 0 62.7
sequence_tolerance Jan 2013 1,053 74,715 71.0 24 2,144.2
vip Mar 2013 552 3,110 5.6 17 150.3
symmetric_docking Aug 2013 1,241 185,654 149.6 15 522.6
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,420 11,580 8.2 32 257.2
ligand_docking Jan 2014 6,170 273,045 44.3 172 8,244.3
peptiderive May 2015 3,539 472 0.1 83 9.0
make_exemplar Sep 2015 218 14 0.1 2 0.0
tox_dock May 2016 305 295,787 969.8 36 25,821.1
snug_dock May 2016 704 533,770 758.2 28 35,150.3
mp_lipid_acc Aug 2016 1,937 16 0.0 149 1.4
stepwise Dec 2017 56 4,607 82.3 0 46.6
Total 49713 5,356,104 148.1 1,160 145,808.7


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):