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
supercharge 797
rna_denovo 4803
snug_dock 1637
pka 1086
peptiderive 5797
ligand_docking 12005
make_exemplar 283
tox_dock 244
rnp_ddg 63
stepwise 82
rna_redesign 76
docking 403
fixbb 1
docking2 11738
mp_lipid_acc 1786
symmetric_docking 1854
antibody 2754
farfar2 848

GrayLab.Jazz

Protocol jobs
supercharge 1505
rna_thread 13
rna_info 35
rna_denovo 435
snug_dock 1077
auto_drrafter 6
ligand_docking 9187
tox_dock 110
docking2 5486
symmetric_docking 14
pka 746
docking 3424
renumber_pdb 27
vip 916
sequence_tolerance 1652
beta_peptide_design 43
meta 3
mp_lipid_acc 347
rnp_ddg 33
erraser 513
antibody 2819
ncbb_design 75
farfar2 409

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 2661
GrayLab.Jazz 2537
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 27,245 807,917 29.7 148 3,387.8
rna_denovo Feb 2012 5,337 212,554 39.8 22 77.4
erraser Oct 2012 566 1,359 2.4 17 62.1
beta_peptide_design Nov 2012 45 4 0.1 1 0.1
supercharge Nov 2012 2,531 640 0.3 33 5.8
antibody Dec 2012 9,333 4,894,269 524.4 80 59,181.9
ncbb_design Dec 2012 83 9,956 119.9 1 38.4
sequence_tolerance Jan 2013 1,788 114,371 64.0 20 814.3
vip Mar 2013 992 8,426 8.5 7 75.4
symmetric_docking Aug 2013 1,951 203,039 104.1 26 728.0
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,421 19,336 8.0 33 271.3
ligand_docking Jan 2014 22,991 550,702 24.0 169 1,910.7
peptiderive May 2015 6,397 852 0.1 82 8.8
make_exemplar Sep 2015 335 14 0.0 1 0.0
tox_dock May 2016 397 423,128 1,065.8 2 8,737.6
snug_dock May 2016 4,177 2,623,265 628.0 64 48,515.5
mp_lipid_acc Aug 2016 2,142 18 0.0 4 0.0
stepwise Dec 2017 83 6,877 82.9 0 0.0
farfar2 Sep 2018 1,401 1,632,010 1,164.9 67 74,343.9
rnp_ddg Oct 2018 99 3,338 33.7 2 57.0
rna_info Jan 2020 36 0 0.0 1 0.0
renumber_pdb Jan 2020 27 0 0.0 3 0.0
rna_thread Jan 2020 15 0 0.0 2 0.0
auto_drrafter Feb 2020 6 1,800 300.0 0 0.0
Total 90474 11,514,565 168.4 785 198,216.2


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):