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 121
supercharge 1729
rna_denovo 6508
snug_dock 3177
pka 1782
peptiderive 12134
ligand_docking 17940
make_exemplar 364
tox_dock 359
rnp_ddg 587
stepwise 143
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1907
symmetric_docking 2963
antibody 3669
farfar2 4231

GrayLab.Jazz

Protocol jobs
supercharge 2100
rna_thread 65
rna_info 301
rna_denovo 435
snug_dock 1942
auto_drrafter 21
ligand_docking 12422
tox_dock 165
docking2 6417
symmetric_docking 14
pka 1262
docking 3424
renumber_pdb 83
vip 1227
sequence_tolerance 2599
beta_peptide_design 57
meta 3
mp_lipid_acc 452
rnp_ddg 581
erraser 871
antibody 3418
ncbb_design 116
farfar2 2478

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 4474
GrayLab.Jazz 3785
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 7,201 262,698 36.5 89 2,887.9
erraser Oct 2012 967 2,311 2.4 8 24.8
beta_peptide_design Nov 2012 61 5 0.1 0 0.0
supercharge Nov 2012 4,127 1,136 0.3 40 4.4
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 2,779 158,457 57.0 13 599.2
vip Mar 2013 1,318 12,205 9.3 2 25.9
symmetric_docking Aug 2013 3,107 238,456 76.7 4 119.3
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,703 28,097 7.6 23 166.4
ligand_docking Jan 2014 32,519 1,307,691 40.2 147 1,380.9
peptiderive May 2015 13,045 1,597 0.1 188 15.6
make_exemplar Sep 2015 416 31 0.1 0 0.0
tox_dock May 2016 569 776,688 1,365.0 5 13,018.8
snug_dock May 2016 6,274 3,997,163 637.1 33 6,464.7
mp_lipid_acc Aug 2016 2,375 26 0.0 7 0.3
stepwise Dec 2017 145 6,924 47.8 0 0.0
farfar2 Sep 2018 7,132 14,730,612 2,065.4 148 287,725.1
rnp_ddg Oct 2018 1,179 26,836 22.8 4 253.3
rna_info Jan 2020 302 0 0.0 3 0.0
renumber_pdb Jan 2020 83 0 0.0 0 0.0
rna_thread Jan 2020 69 0 0.0 1 0.0
auto_drrafter Feb 2020 22 3,935 178.8 0 0.0
cov_pep_dock Feb 2021 128 73,547 574.6 3 719.0
Total 128571 28,640,605 226.0 718 313,530.9


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):