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 31
supercharge 1077
rna_denovo 5184
snug_dock 2393
pka 1404
peptiderive 7779
ligand_docking 14155
make_exemplar 332
tox_dock 293
rnp_ddg 552
stepwise 92
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1834
symmetric_docking 2407
antibody 3669
farfar2 2048

GrayLab.Jazz

Protocol jobs
supercharge 1733
rna_thread 27
rna_info 111
rna_denovo 435
snug_dock 1422
auto_drrafter 15
ligand_docking 10138
tox_dock 123
docking2 6417
symmetric_docking 14
pka 1016
docking 3424
renumber_pdb 66
vip 1093
sequence_tolerance 2023
beta_peptide_design 45
meta 3
mp_lipid_acc 418
rnp_ddg 544
erraser 673
antibody 3418
ncbb_design 98
farfar2 963

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 3522
GrayLab.Jazz 3150
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 19 614.2
rna_denovo Feb 2012 5,740 219,622 38.3 9 64.1
erraser Oct 2012 761 1,662 2.2 2 6.1
beta_peptide_design Nov 2012 48 4 0.1 0 0.0
supercharge Nov 2012 3,071 866 0.3 25 9.5
antibody Dec 2012 10,938 6,074,269 555.3 20 11,990.9
ncbb_design Dec 2012 107 12,463 116.5 0 213.1
sequence_tolerance Jan 2013 2,188 133,097 60.8 13 842.4
vip Mar 2013 1,176 11,022 9.4 8 98.3
symmetric_docking Aug 2013 2,540 223,886 88.1 16 621.7
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,042 24,207 8.0 18 152.4
ligand_docking Jan 2014 26,245 675,168 25.7 152 1,813.1
peptiderive May 2015 8,451 1,153 0.1 111 19.3
make_exemplar Sep 2015 383 31 0.1 1 0.0
tox_dock May 2016 462 533,903 1,155.6 3 9,277.2
snug_dock May 2016 4,919 3,021,573 614.3 18 6,474.6
mp_lipid_acc Aug 2016 2,261 23 0.0 7 0.0
stepwise Dec 2017 94 6,891 73.3 0 0.3
farfar2 Sep 2018 3,497 5,290,990 1,513.0 89 119,719.2
rnp_ddg Oct 2018 1,103 23,867 21.6 16 455.5
rna_info Jan 2020 112 0 0.0 3 0.0
renumber_pdb Jan 2020 66 0 0.0 1 0.0
rna_thread Jan 2020 31 0 0.0 0 0.0
auto_drrafter Feb 2020 15 3,748 249.9 0 0.0
cov_pep_dock Feb 2021 36 25,969 721.4 0 392.2
Total 107273 17,202,346 203.6 531 152,764.1


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):