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 32
supercharge 1093
rna_denovo 5198
snug_dock 2489
pka 1415
peptiderive 7849
ligand_docking 14262
make_exemplar 333
tox_dock 294
rnp_ddg 552
stepwise 94
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1834
symmetric_docking 2423
antibody 3669
farfar2 2210

GrayLab.Jazz

Protocol jobs
supercharge 1746
rna_thread 27
rna_info 118
rna_denovo 435
snug_dock 1450
auto_drrafter 15
ligand_docking 10203
tox_dock 124
docking2 6417
symmetric_docking 14
pka 1022
docking 3424
renumber_pdb 68
vip 1097
sequence_tolerance 2073
beta_peptide_design 46
meta 3
mp_lipid_acc 419
rnp_ddg 544
erraser 684
antibody 3418
ncbb_design 99
farfar2 1073

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 3557
GrayLab.Jazz 3175
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 7 64.8
rna_denovo Feb 2012 5,753 219,889 38.2 11 90.5
erraser Oct 2012 768 1,753 2.3 3 19.3
beta_peptide_design Nov 2012 49 4 0.1 0 0.0
supercharge Nov 2012 3,099 870 0.3 24 9.4
antibody Dec 2012 10,938 6,074,269 555.3 11 3,293.0
ncbb_design Dec 2012 108 14,864 137.6 0 613.3
sequence_tolerance Jan 2013 2,233 136,625 61.2 18 1,032.1
vip Mar 2013 1,178 11,105 9.4 6 92.2
symmetric_docking Aug 2013 2,557 225,626 88.2 18 787.5
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,059 24,263 7.9 16 72.7
ligand_docking Jan 2014 26,408 676,195 25.6 159 1,754.0
peptiderive May 2015 8,523 1,158 0.1 123 14.5
make_exemplar Sep 2015 384 31 0.1 1 0.0
tox_dock May 2016 463 540,433 1,167.2 4 10,365.5
snug_dock May 2016 5,078 3,101,515 610.8 34 16,431.0
mp_lipid_acc Aug 2016 2,262 23 0.0 6 0.0
stepwise Dec 2017 96 6,891 71.8 0 0.0
farfar2 Sep 2018 3,611 6,068,167 1,680.5 126 164,640.1
rnp_ddg Oct 2018 1,103 23,867 21.6 2 127.8
rna_info Jan 2020 119 0 0.0 3 0.0
renumber_pdb Jan 2020 68 0 0.0 0 0.0
rna_thread Jan 2020 31 0 0.0 0 0.0
auto_drrafter Feb 2020 15 3,748 249.9 0 0.0
cov_pep_dock Feb 2021 37 27,427 741.3 1 635.2
Total 107927 18,076,656 211.9 573 200,043.0


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):