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 1674
rna_denovo 6227
snug_dock 3150
pka 1762
peptiderive 11787
ligand_docking 17824
make_exemplar 363
tox_dock 355
rnp_ddg 578
stepwise 143
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1879
symmetric_docking 2951
antibody 3669
farfar2 4079

GrayLab.Jazz

Protocol jobs
supercharge 2079
rna_thread 65
rna_info 299
rna_denovo 435
snug_dock 1933
auto_drrafter 21
ligand_docking 12257
tox_dock 161
docking2 6417
symmetric_docking 14
pka 1244
docking 3424
renumber_pdb 82
vip 1222
sequence_tolerance 2556
beta_peptide_design 57
meta 3
mp_lipid_acc 443
rnp_ddg 574
erraser 857
antibody 3418
ncbb_design 115
farfar2 2276

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 4425
GrayLab.Jazz 3744
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 6,920 254,004 36.7 44 1,649.2
erraser Oct 2012 952 2,279 2.4 7 23.9
beta_peptide_design Nov 2012 61 5 0.1 0 0.0
supercharge Nov 2012 4,050 1,126 0.3 32 3.1
antibody Dec 2012 10,938 6,074,269 555.3 0 0.0
ncbb_design Dec 2012 124 19,240 155.2 0 0.1
sequence_tolerance Jan 2013 2,736 156,839 57.3 17 826.0
vip Mar 2013 1,312 12,128 9.2 2 15.2
symmetric_docking Aug 2013 3,095 238,074 76.9 15 117.7
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,665 27,800 7.6 22 130.9
ligand_docking Jan 2014 32,237 1,306,989 40.5 176 2,265.8
peptiderive May 2015 12,665 1,554 0.1 196 12.2
make_exemplar Sep 2015 415 31 0.1 0 0.0
tox_dock May 2016 561 747,955 1,333.3 7 13,516.4
snug_dock May 2016 6,237 3,978,977 638.0 43 15,764.4
mp_lipid_acc Aug 2016 2,331 24 0.0 1 0.0
stepwise Dec 2017 145 6,924 47.8 0 0.0
farfar2 Sep 2018 6,857 14,175,479 2,067.3 131 290,692.0
rnp_ddg Oct 2018 1,163 25,503 21.9 2 81.2
rna_info Jan 2020 300 0 0.0 3 0.0
renumber_pdb Jan 2020 82 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 0.2
cov_pep_dock Feb 2021 128 73,547 574.6 5 1,380.3
Total 127052 28,024,613 224.7 704 326,478.7


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):