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 717
rna_denovo 4758
snug_dock 1474
pka 998
peptiderive 5504
ligand_docking 11575
make_exemplar 279
tox_dock 238
rnp_ddg 56
stepwise 82
rna_redesign 76
docking 403
fixbb 1
docking2 11326
mp_lipid_acc 1779
symmetric_docking 1771
antibody 2572
farfar2 682

GrayLab.Jazz

Protocol jobs
supercharge 1480
rna_thread 10
rna_info 32
rna_denovo 435
snug_dock 993
auto_drrafter 6
ligand_docking 9023
tox_dock 108
docking2 5341
symmetric_docking 14
pka 706
docking 3424
renumber_pdb 16
vip 887
sequence_tolerance 1567
beta_peptide_design 43
meta 3
mp_lipid_acc 347
rnp_ddg 33
erraser 442
antibody 2733
ncbb_design 71
farfar2 336

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 2515
GrayLab.Jazz 2414
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 26,940 788,347 29.3 102 3,374.8
rna_denovo Feb 2012 5,292 212,378 40.1 19 130.4
erraser Oct 2012 488 1,213 2.5 11 75.4
beta_peptide_design Nov 2012 45 4 0.1 1 0.1
supercharge Nov 2012 2,427 620 0.3 32 5.5
antibody Dec 2012 8,896 4,681,945 526.3 66 41,278.4
ncbb_design Dec 2012 77 9,726 126.3 1 40.5
sequence_tolerance Jan 2013 1,714 110,775 64.6 19 1,030.3
vip Mar 2013 959 8,191 8.5 6 68.4
symmetric_docking Aug 2013 1,869 201,055 107.6 32 691.4
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,282 18,352 8.0 31 294.1
ligand_docking Jan 2014 22,501 546,559 24.3 138 2,458.9
peptiderive May 2015 6,116 828 0.1 91 13.5
make_exemplar Sep 2015 330 14 0.0 3 0.0
tox_dock May 2016 389 381,380 980.4 2 4,928.4
snug_dock May 2016 3,147 2,426,063 770.9 45 30,313.9
mp_lipid_acc Aug 2016 2,135 18 0.0 9 0.1
stepwise Dec 2017 83 6,877 82.9 0 0.0
farfar2 Sep 2018 1,119 1,056,852 944.5 53 81,851.8
rnp_ddg Oct 2018 92 3,131 34.0 5 140.8
rna_info Jan 2020 33 0 0.0 2 0.0
renumber_pdb Jan 2020 16 0 0.0 2 0.0
rna_thread Jan 2020 12 0 0.0 1 0.0
auto_drrafter Feb 2020 6 1,800 300.0 0 0.0
Total 87044 10,456,817 162.4 671 166,696.6


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):