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 730
rna_denovo 4780
snug_dock 1483
pka 1013
peptiderive 5553
ligand_docking 11612
make_exemplar 281
tox_dock 242
rnp_ddg 56
stepwise 82
rna_redesign 76
docking 403
fixbb 1
docking2 11357
mp_lipid_acc 1780
symmetric_docking 1798
antibody 2589
farfar2 695

GrayLab.Jazz

Protocol jobs
supercharge 1491
rna_thread 13
rna_info 33
rna_denovo 435
snug_dock 1006
auto_drrafter 6
ligand_docking 9054
tox_dock 110
docking2 5364
symmetric_docking 14
pka 724
docking 3424
renumber_pdb 21
vip 894
sequence_tolerance 1591
beta_peptide_design 43
meta 3
mp_lipid_acc 347
rnp_ddg 33
erraser 451
antibody 2759
ncbb_design 74
farfar2 349

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 2536
GrayLab.Jazz 2459
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 26,985 789,584 29.3 99 2,602.7
rna_denovo Feb 2012 5,314 212,430 40.0 20 63.7
erraser Oct 2012 498 1,229 2.5 9 47.8
beta_peptide_design Nov 2012 45 4 0.1 1 0.1
supercharge Nov 2012 2,450 624 0.3 32 5.4
antibody Dec 2012 8,990 4,703,657 523.2 66 42,376.2
ncbb_design Dec 2012 82 9,955 121.4 2 78.7
sequence_tolerance Jan 2013 1,725 112,286 65.1 18 979.0
vip Mar 2013 966 8,220 8.5 5 60.6
symmetric_docking Aug 2013 1,895 201,673 106.4 34 704.1
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,312 18,724 8.1 34 323.5
ligand_docking Jan 2014 22,572 546,917 24.2 133 2,087.7
peptiderive May 2015 6,150 830 0.1 87 7.8
make_exemplar Sep 2015 331 14 0.0 3 0.0
tox_dock May 2016 395 415,826 1,052.7 3 10,128.0
snug_dock May 2016 3,908 2,453,038 627.7 43 25,231.5
mp_lipid_acc Aug 2016 2,136 18 0.0 8 0.1
stepwise Dec 2017 83 6,877 82.9 0 0.0
farfar2 Sep 2018 1,161 1,193,828 1,028.3 52 68,945.7
rnp_ddg Oct 2018 92 3,131 34.0 3 102.7
rna_info Jan 2020 34 0 0.0 2 0.0
renumber_pdb Jan 2020 21 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 88242 10,681,355 162.6 659 153,745.3


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):