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 562
rna_denovo 4619
snug_dock 1235
pka 823
peptiderive 4843
ligand_docking 10825
make_exemplar 246
tox_dock 224
rnp_ddg 23
stepwise 69
rna_redesign 76
docking 403
fixbb 1
docking2 10755
mp_lipid_acc 1736
symmetric_docking 1500
antibody 2170
farfar2 326

GrayLab.Jazz

Protocol jobs
supercharge 1425
rna_thread 1
rna_info 12
rna_denovo 435
snug_dock 865
auto_drrafter 1
ligand_docking 8688
tox_dock 101
docking2 5042
symmetric_docking 14
pka 612
docking 3424
renumber_pdb 1
vip 840
sequence_tolerance 1386
beta_peptide_design 36
meta 3
mp_lipid_acc 324
rnp_ddg 24
erraser 365
antibody 2530
ncbb_design 57
farfar2 151

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 2064
GrayLab.Jazz 2112
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 25,713 746,473 29.0 161 4,685.8
rna_denovo Feb 2012 5,149 211,327 41.0 19 1,712.9
erraser Oct 2012 393 730 1.9 5 20.8
beta_peptide_design Nov 2012 38 3 0.1 0 0.0
supercharge Nov 2012 2,204 582 0.3 33 3.5
antibody Dec 2012 8,074 4,222,408 523.0 94 57,207.4
ncbb_design Dec 2012 61 9,277 152.1 0 0.1
sequence_tolerance Jan 2013 1,450 100,909 69.6 20 986.9
vip Mar 2013 911 7,618 8.4 8 60.8
symmetric_docking Aug 2013 1,581 194,358 122.9 13 256.9
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,003 15,987 8.0 18 138.1
ligand_docking Jan 2014 21,242 527,081 24.8 179 5,176.5
peptiderive May 2015 5,402 733 0.1 61 18.8
make_exemplar Sep 2015 295 14 0.0 1 0.0
tox_dock May 2016 368 340,440 925.1 1 2,106.2
snug_dock May 2016 2,289 2,063,612 901.5 89 67,357.9
mp_lipid_acc Aug 2016 2,068 17 0.0 15 0.1
stepwise Dec 2017 69 6,874 99.6 0 0.0
farfar2 Sep 2018 504 155,285 308.1 64 25,405.6
rnp_ddg Oct 2018 47 1,702 36.2 0 22.0
rna_info Jan 2020 13 0 0.0 2 0.0
renumber_pdb Jan 2020 1 0 0.0 0 0.0
rna_thread Jan 2020 2 0 0.0 0 0.0
auto_drrafter Feb 2020 1 0 0.1 0 0.0
Total 79954 8,606,121 130.4 783 165,160.4


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):