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
cov_pep_dock 122
supercharge 1738
rna_denovo 6611
snug_dock 3183
pka 1784
peptiderive 12216
ligand_docking 17984
make_exemplar 364
tox_dock 359
rnp_ddg 588
stepwise 143
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1908
symmetric_docking 2965
antibody 3669
farfar2 4257

GrayLab.Jazz

Protocol jobs
supercharge 2128
rna_thread 65
rna_info 302
rna_denovo 435
snug_dock 1946
auto_drrafter 21
ligand_docking 12513
tox_dock 167
docking2 6417
symmetric_docking 14
pka 1263
docking 3424
renumber_pdb 83
vip 1229
sequence_tolerance 2607
beta_peptide_design 57
meta 3
mp_lipid_acc 452
rnp_ddg 585
erraser 871
antibody 3418
ncbb_design 116
farfar2 2610

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 4487
GrayLab.Jazz 3802
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 29,911 917,243 30.7 0 0.0
rna_denovo Feb 2012 7,304 266,124 36.4 106 3,458.9
erraser Oct 2012 967 2,311 2.4 7 18.4
beta_peptide_design Nov 2012 61 5 0.1 0 0.0
supercharge Nov 2012 4,164 1,141 0.3 35 4.2
antibody Dec 2012 10,938 6,074,269 555.3 0 0.0
ncbb_design Dec 2012 125 19,990 159.9 0 125.1
sequence_tolerance Jan 2013 2,787 159,252 57.1 13 664.4
vip Mar 2013 1,319 12,228 9.3 2 18.5
symmetric_docking Aug 2013 3,109 238,546 76.7 3 103.2
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,706 28,097 7.6 17 101.6
ligand_docking Jan 2014 32,657 1,311,774 40.2 146 1,923.0
peptiderive May 2015 13,141 1,602 0.1 173 13.6
make_exemplar Sep 2015 416 31 0.1 0 0.0
tox_dock May 2016 571 784,227 1,373.4 4 11,150.6
snug_dock May 2016 6,285 4,006,426 637.5 32 6,178.1
mp_lipid_acc Aug 2016 2,376 26 0.0 7 0.3
stepwise Dec 2017 145 6,924 47.8 0 0.0
farfar2 Sep 2018 7,288 14,876,480 2,041.2 165 276,860.8
rnp_ddg Oct 2018 1,184 26,908 22.7 5 265.4
rna_info Jan 2020 303 0 0.0 2 0.0
renumber_pdb Jan 2020 83 0 0.0 0 0.0
rna_thread Jan 2020 69 0 0.0 0 0.0
auto_drrafter Feb 2020 22 3,935 178.8 0 0.0
cov_pep_dock Feb 2021 129 74,519 577.7 1 715.1
Total 129136 28,812,748 225.6 718 301,601.1


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):