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 732
rna_denovo 4782
snug_dock 1508
pka 1021
peptiderive 5560
ligand_docking 11670
make_exemplar 282
tox_dock 242
rnp_ddg 56
stepwise 82
rna_redesign 76
docking 403
fixbb 1
docking2 11399
mp_lipid_acc 1780
symmetric_docking 1799
antibody 2607
farfar2 718

GrayLab.Jazz

Protocol jobs
supercharge 1491
rna_thread 13
rna_info 33
rna_denovo 435
snug_dock 1013
auto_drrafter 6
ligand_docking 9083
tox_dock 110
docking2 5381
symmetric_docking 14
pka 726
docking 3424
renumber_pdb 25
vip 897
sequence_tolerance 1598
beta_peptide_design 43
meta 3
mp_lipid_acc 347
rnp_ddg 33
erraser 454
antibody 2765
ncbb_design 74
farfar2 354

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 2550
GrayLab.Jazz 2467
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 27,009 791,790 29.3 107 2,367.5
rna_denovo Feb 2012 5,316 212,460 40.0 20 68.8
erraser Oct 2012 501 1,231 2.5 9 48.1
beta_peptide_design Nov 2012 45 4 0.1 1 0.1
supercharge Nov 2012 2,452 625 0.3 29 5.4
antibody Dec 2012 9,042 4,726,694 522.7 67 45,101.2
ncbb_design Dec 2012 82 9,955 121.4 2 78.7
sequence_tolerance Jan 2013 1,729 112,707 65.2 19 998.5
vip Mar 2013 970 8,249 8.5 6 65.4
symmetric_docking Aug 2013 1,896 201,735 106.4 32 700.0
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,321 18,817 8.1 33 324.2
ligand_docking Jan 2014 22,648 548,228 24.2 145 1,719.1
peptiderive May 2015 6,157 831 0.1 84 7.6
make_exemplar Sep 2015 332 14 0.0 3 0.0
tox_dock May 2016 395 415,826 1,052.7 3 10,128.0
snug_dock May 2016 3,942 2,475,600 628.0 47 28,769.9
mp_lipid_acc Aug 2016 2,136 18 0.0 7 0.1
stepwise Dec 2017 83 6,877 82.9 0 0.0
farfar2 Sep 2018 1,271 1,204,068 947.3 56 67,447.8
rnp_ddg Oct 2018 92 3,131 34.0 2 70.0
rna_info Jan 2020 34 0 0.0 2 0.0
renumber_pdb Jan 2020 25 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 88575 10,741,350 159.3 679 157,900.4


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):