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 1673
rna_denovo 6224
snug_dock 3147
pka 1761
peptiderive 11773
ligand_docking 17814
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 2950
antibody 3669
farfar2 4067

GrayLab.Jazz

Protocol jobs
supercharge 2073
rna_thread 65
rna_info 296
rna_denovo 435
snug_dock 1926
auto_drrafter 21
ligand_docking 12229
tox_dock 161
docking2 6417
symmetric_docking 14
pka 1242
docking 3424
renumber_pdb 82
vip 1222
sequence_tolerance 2555
beta_peptide_design 57
meta 3
mp_lipid_acc 443
rnp_ddg 574
erraser 856
antibody 3418
ncbb_design 115
farfar2 2244

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 4418
GrayLab.Jazz 3736
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 6,918 254,004 36.7 43 1,649.1
erraser Oct 2012 951 2,276 2.4 7 23.4
beta_peptide_design Nov 2012 61 5 0.1 0 0.0
supercharge Nov 2012 4,043 1,121 0.3 34 2.5
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 2,735 156,788 57.3 18 840.3
vip Mar 2013 1,312 12,128 9.2 3 21.7
symmetric_docking Aug 2013 3,095 238,048 76.9 14 113.4
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,662 27,751 7.6 23 131.2
ligand_docking Jan 2014 32,200 1,306,734 40.6 172 2,269.4
peptiderive May 2015 12,653 1,552 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 13,656.6
snug_dock May 2016 6,227 3,973,681 638.1 42 14,881.8
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 6,834 14,044,441 2,055.1 126 288,791.2
rnp_ddg Oct 2018 1,163 25,503 21.9 2 81.2
rna_info Jan 2020 297 0 0.0 4 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 126953 27,887,889 224.3 698 323,854.7


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):