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 809
rna_denovo 4832
snug_dock 1916
pka 1133
peptiderive 5940
ligand_docking 12274
make_exemplar 300
tox_dock 250
rnp_ddg 80
stepwise 86
rna_redesign 76
docking 403
fixbb 1
docking2 11947
mp_lipid_acc 1787
symmetric_docking 1913
antibody 2930
farfar2 1011

GrayLab.Jazz

Protocol jobs
supercharge 1510
rna_thread 13
rna_info 41
rna_denovo 435
snug_dock 1192
auto_drrafter 6
ligand_docking 9324
tox_dock 113
docking2 5585
symmetric_docking 14
pka 768
docking 3424
renumber_pdb 37
vip 935
sequence_tolerance 1719
beta_peptide_design 43
meta 3
mp_lipid_acc 350
rnp_ddg 45
erraser 525
antibody 2871
ncbb_design 79
farfar2 453

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 2755
GrayLab.Jazz 2593
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 27,561 824,517 29.9 151 4,297.7
rna_denovo Feb 2012 5,366 212,650 39.6 17 45.4
erraser Oct 2012 572 1,467 2.6 14 42.9
beta_peptide_design Nov 2012 45 4 0.1 0 0.0
supercharge Nov 2012 2,550 642 0.3 28 4.3
antibody Dec 2012 9,716 5,108,659 525.8 86 62,368.9
ncbb_design Dec 2012 88 9,968 113.3 1 40.3
sequence_tolerance Jan 2013 1,854 116,730 63.0 26 1,031.3
vip Mar 2013 1,011 8,577 8.5 8 64.3
symmetric_docking Aug 2013 2,014 205,268 101.9 24 771.6
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,478 19,962 8.1 34 276.9
ligand_docking Jan 2014 23,503 563,847 24.0 176 2,805.8
peptiderive May 2015 6,541 864 0.1 78 6.1
make_exemplar Sep 2015 351 14 0.0 3 0.0
tox_dock May 2016 406 432,875 1,066.2 3 8,920.6
snug_dock May 2016 4,304 2,737,389 636.0 110 47,083.3
mp_lipid_acc Aug 2016 2,146 18 0.0 1 0.0
stepwise Dec 2017 87 6,878 79.1 0 0.0
farfar2 Sep 2018 1,522 2,216,284 1,456.2 76 139,946.5
rnp_ddg Oct 2018 128 4,213 32.9 6 180.3
rna_info Jan 2020 42 0 0.0 1 0.0
renumber_pdb Jan 2020 37 0 0.0 3 0.0
rna_thread Jan 2020 15 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 92423 12,479,492 232.3 846 268,915.5


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):