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 32
supercharge 1128
rna_denovo 5216
snug_dock 2541
pka 1443
peptiderive 8058
ligand_docking 14453
make_exemplar 336
tox_dock 300
rnp_ddg 557
stepwise 100
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1835
symmetric_docking 2442
antibody 3669
farfar2 2442

GrayLab.Jazz

Protocol jobs
supercharge 1770
rna_thread 32
rna_info 131
rna_denovo 435
snug_dock 1493
auto_drrafter 15
ligand_docking 10297
tox_dock 124
docking2 6417
symmetric_docking 14
pka 1029
docking 3424
renumber_pdb 72
vip 1102
sequence_tolerance 2128
beta_peptide_design 46
meta 3
mp_lipid_acc 422
rnp_ddg 544
erraser 689
antibody 3418
ncbb_design 101
farfar2 1208

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 3629
GrayLab.Jazz 3218
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 29,911 917,243 30.7 0 0.0
rna_denovo Feb 2012 5,771 220,105 38.1 10 124.3
erraser Oct 2012 774 1,759 2.3 3 16.3
beta_peptide_design Nov 2012 49 4 0.1 0 0.0
supercharge Nov 2012 3,158 872 0.3 27 8.9
antibody Dec 2012 10,938 6,074,269 555.3 0 0.0
ncbb_design Dec 2012 110 17,265 157.0 1 1,001.4
sequence_tolerance Jan 2013 2,296 139,537 60.8 23 1,298.7
vip Mar 2013 1,185 11,176 9.4 3 47.2
symmetric_docking Aug 2013 2,578 226,437 87.8 11 629.9
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,096 24,398 7.9 15 66.7
ligand_docking Jan 2014 26,737 685,367 25.6 150 3,112.9
peptiderive May 2015 8,744 1,176 0.1 70 6.1
make_exemplar Sep 2015 387 31 0.1 0 0.0
tox_dock May 2016 469 550,382 1,173.5 2 3,939.3
snug_dock May 2016 5,171 3,215,566 621.8 42 34,806.4
mp_lipid_acc Aug 2016 2,266 23 0.0 1 0.0
stepwise Dec 2017 102 6,893 67.6 0 0.0
farfar2 Sep 2018 3,885 6,987,309 1,798.5 139 256,296.1
rnp_ddg Oct 2018 1,108 23,959 21.6 2 90.0
rna_info Jan 2020 136 0 0.0 4 0.0
renumber_pdb Jan 2020 73 0 0.0 1 0.0
rna_thread Jan 2020 36 0 0.0 1 0.0
auto_drrafter Feb 2020 15 3,748 249.9 0 0.0
cov_pep_dock Feb 2021 37 27,427 741.3 0 635.2
Total 109108 19,135,636 217.6 505 302,079.5


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):