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
cov_pep_dock 4
supercharge 813
rna_denovo 4850
snug_dock 1989
pka 1154
peptiderive 6021
ligand_docking 12490
make_exemplar 304
tox_dock 261
rnp_ddg 82
stepwise 86
rna_redesign 76
docking 403
fixbb 1
docking2 12112
mp_lipid_acc 1790
symmetric_docking 1937
antibody 3015
farfar2 1132

GrayLab.Jazz

Protocol jobs
supercharge 1517
rna_thread 16
rna_info 42
rna_denovo 435
snug_dock 1200
auto_drrafter 6
ligand_docking 9351
tox_dock 114
docking2 5594
symmetric_docking 14
pka 782
docking 3424
renumber_pdb 39
vip 937
sequence_tolerance 1727
beta_peptide_design 43
meta 3
mp_lipid_acc 365
rnp_ddg 45
erraser 530
antibody 2880
ncbb_design 79
farfar2 459

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 2809
GrayLab.Jazz 2618
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 27,896 836,790 30.0 140 5,671.7
rna_denovo Feb 2012 5,393 212,688 39.4 9 27.9
erraser Oct 2012 578 1,481 2.6 12 41.6
beta_peptide_design Nov 2012 45 4 0.1 0 0.0
supercharge Nov 2012 2,561 645 0.3 16 2.9
antibody Dec 2012 9,936 5,172,505 520.6 79 45,858.5
ncbb_design Dec 2012 88 9,968 113.3 0 2.0
sequence_tolerance Jan 2013 1,870 116,999 62.6 20 650.2
vip Mar 2013 1,020 8,607 8.4 5 43.8
symmetric_docking Aug 2013 2,059 207,691 100.9 21 921.2
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,515 20,175 8.0 30 212.7
ligand_docking Jan 2014 23,932 586,439 24.5 161 6,285.5
peptiderive May 2015 6,658 871 0.1 67 4.6
make_exemplar Sep 2015 356 18 0.1 3 1.1
tox_dock May 2016 419 453,398 1,082.1 3 6,262.0
snug_dock May 2016 4,315 2,779,520 644.2 104 16,948.2
mp_lipid_acc Aug 2016 2,164 19 0.0 4 0.2
stepwise Dec 2017 87 6,878 79.1 0 0.0
farfar2 Sep 2018 1,695 2,348,841 1,385.7 79 92,171.7
rnp_ddg Oct 2018 130 4,308 33.1 6 196.2
rna_info Jan 2020 43 0 0.0 1 0.0
renumber_pdb Jan 2020 39 0 0.0 2 0.0
rna_thread Jan 2020 19 0 0.0 0 0.0
auto_drrafter Feb 2020 6 1,800 300.0 0 0.0
cov_pep_dock Feb 2021 4 6,176 1,544.1 0 1,029.4
Total 93904 12,776,510 230.3 762 176,331.5


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):