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 648
rna_denovo 4667
snug_dock 1389
pka 957
peptiderive 5311
ligand_docking 11332
make_exemplar 272
tox_dock 234
rnp_ddg 48
stepwise 81
rna_redesign 76
docking 403
fixbb 1
docking2 11141
mp_lipid_acc 1772
symmetric_docking 1697
antibody 2446
farfar2 581

GrayLab.Jazz

Protocol jobs
supercharge 1453
rna_thread 1
rna_info 26
rna_denovo 435
snug_dock 947
auto_drrafter 6
ligand_docking 8873
tox_dock 107
docking2 5215
symmetric_docking 14
pka 676
docking 3424
renumber_pdb 8
vip 872
sequence_tolerance 1542
beta_peptide_design 37
meta 3
mp_lipid_acc 341
rnp_ddg 32
erraser 414
antibody 2666
ncbb_design 69
farfar2 283

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 2396
GrayLab.Jazz 2320
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 26,645 780,168 29.3 109 5,171.0
rna_denovo Feb 2012 5,198 212,090 40.8 8 127.1
erraser Oct 2012 456 1,059 2.3 8 55.3
beta_peptide_design Nov 2012 39 3 0.1 0 0.0
supercharge Nov 2012 2,324 605 0.3 19 3.8
antibody Dec 2012 8,603 4,542,050 528.0 78 42,449.6
ncbb_design Dec 2012 75 9,725 129.7 2 74.8
sequence_tolerance Jan 2013 1,672 109,439 65.5 26 1,452.5
vip Mar 2013 943 7,973 8.5 5 61.4
symmetric_docking Aug 2013 1,793 198,675 110.8 33 724.9
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,205 17,709 8.0 35 296.7
ligand_docking Jan 2014 22,293 539,457 24.2 131 3,034.1
peptiderive May 2015 5,904 799 0.1 81 11.2
make_exemplar Sep 2015 322 14 0.0 4 0.0
tox_dock May 2016 384 370,702 965.4 3 6,338.6
snug_dock May 2016 2,619 2,280,269 870.7 46 37,015.7
mp_lipid_acc Aug 2016 2,123 18 0.0 9 0.1
stepwise Dec 2017 82 6,877 83.9 0 0.1
farfar2 Sep 2018 1,014 797,882 786.9 70 105,841.7
rnp_ddg Oct 2018 83 2,996 36.1 5 215.6
rna_info Jan 2020 27 0 0.0 4 0.0
renumber_pdb Jan 2020 11 0 0.0 1 0.0
rna_thread Jan 2020 3 0 0.0 0 0.0
auto_drrafter Feb 2020 6 1,800 300.0 1 300.0
Total 84900 9,881,000 160.0 678 203,174.0


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):