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 40
supercharge 1343
rna_denovo 5609
snug_dock 2869
pka 1598
peptiderive 9288
ligand_docking 15462
make_exemplar 344
tox_dock 312
rnp_ddg 564
stepwise 121
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1858
symmetric_docking 2691
antibody 3669
farfar2 3032

GrayLab.Jazz

Protocol jobs
supercharge 1795
rna_thread 33
rna_info 194
rna_denovo 435
snug_dock 1615
auto_drrafter 17
ligand_docking 10564
tox_dock 129
docking2 6417
symmetric_docking 14
pka 1092
docking 3424
renumber_pdb 75
vip 1127
sequence_tolerance 2216
beta_peptide_design 48
meta 3
mp_lipid_acc 430
rnp_ddg 544
erraser 720
antibody 3418
ncbb_design 104
farfar2 1351

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 3901
GrayLab.Jazz 3320
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 6,352 232,800 36.6 62 2,077.2
erraser Oct 2012 808 1,838 2.3 5 12.4
beta_peptide_design Nov 2012 52 4 0.1 0 0.0
supercharge Nov 2012 3,419 990 0.3 26 12.3
antibody Dec 2012 10,938 6,074,269 555.3 0 0.0
ncbb_design Dec 2012 113 17,295 153.1 0 4.8
sequence_tolerance Jan 2013 2,386 142,855 59.9 14 321.9
vip Mar 2013 1,211 11,434 9.4 4 27.7
symmetric_docking Aug 2013 2,832 233,187 82.3 25 892.9
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,347 25,864 7.7 32 202.1
ligand_docking Jan 2014 28,532 799,970 28.0 150 18,891.3
peptiderive May 2015 10,088 1,321 0.1 153 19.5
make_exemplar Sep 2015 396 31 0.1 1 0.0
tox_dock May 2016 486 589,982 1,214.0 2 5,967.8
snug_dock May 2016 5,661 3,760,197 664.2 59 75,039.8
mp_lipid_acc Aug 2016 2,297 24 0.0 3 0.0
stepwise Dec 2017 123 6,898 56.1 0 0.1
farfar2 Sep 2018 4,807 9,234,437 1,921.0 87 230,140.2
rnp_ddg Oct 2018 1,115 24,159 21.7 0 23.7
rna_info Jan 2020 196 0 0.0 10 0.0
renumber_pdb Jan 2020 75 0 0.0 0 0.0
rna_thread Jan 2020 37 0 0.0 0 0.0
auto_drrafter Feb 2020 17 3,914 230.3 0 27.7
cov_pep_dock Feb 2021 46 31,221 678.7 1 632.2
Total 115321 22,110,622 221.6 634 334,293.7


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):