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 24
supercharge 985
rna_denovo 5118
snug_dock 2305
pka 1339
peptiderive 7073
ligand_docking 13440
make_exemplar 325
tox_dock 273
rnp_ddg 508
stepwise 89
rna_redesign 76
docking 403
fixbb 1
docking2 13220
mp_lipid_acc 1817
symmetric_docking 2292
antibody 3563
farfar2 1637

GrayLab.Jazz

Protocol jobs
supercharge 1662
rna_thread 22
rna_info 91
rna_denovo 435
snug_dock 1375
auto_drrafter 14
ligand_docking 9859
tox_dock 121
docking2 6266
symmetric_docking 14
pka 963
docking 3424
renumber_pdb 55
vip 1041
sequence_tolerance 1933
beta_peptide_design 45
meta 3
mp_lipid_acc 391
rnp_ddg 424
erraser 656
antibody 3321
ncbb_design 90
farfar2 760

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 3344
GrayLab.Jazz 3040
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 29,646 909,222 30.7 175 7,472.3
rna_denovo Feb 2012 5,673 219,198 38.6 30 756.8
erraser Oct 2012 733 1,624 2.2 19 20.1
beta_peptide_design Nov 2012 47 4 0.1 0 0.0
supercharge Nov 2012 2,903 807 0.3 32 21.0
antibody Dec 2012 10,818 5,905,730 545.9 109 19,802.0
ncbb_design Dec 2012 99 11,184 113.0 1 202.7
sequence_tolerance Jan 2013 2,075 127,543 61.5 17 755.1
vip Mar 2013 1,121 10,209 9.1 11 158.5
symmetric_docking Aug 2013 2,406 218,601 90.9 26 650.2
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,923 23,147 7.9 39 307.3
ligand_docking Jan 2014 25,220 664,005 26.3 120 2,236.9
peptiderive May 2015 7,705 1,025 0.1 108 13.8
make_exemplar Sep 2015 376 31 0.1 1 0.0
tox_dock May 2016 439 478,240 1,089.4 1 1,305.6
snug_dock May 2016 4,785 2,970,479 620.8 45 20,944.1
mp_lipid_acc Aug 2016 2,217 23 0.0 1 0.0
stepwise Dec 2017 91 6,879 75.6 0 0.0
farfar2 Sep 2018 2,736 3,835,603 1,401.9 82 77,772.6
rnp_ddg Oct 2018 938 19,561 20.9 124 1,637.0
rna_info Jan 2020 92 0 0.0 2 0.0
renumber_pdb Jan 2020 55 0 0.0 2 0.0
rna_thread Jan 2020 26 0 0.0 0 0.0
auto_drrafter Feb 2020 14 3,748 267.7 0 0.0
cov_pep_dock Feb 2021 28 23,616 843.4 1 393.8
Total 103242 15,431,168 202.1 946 134,450.0


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):