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
rna_redesign 76
docking 403
antibody 269
rna_denovo 1179
fixbb 1
tox_dock 3
snug_dock 117
pka 293
peptiderive 1326
ligand_docking 1332
make_exemplar 103
mp_lipid_acc 60
docking2 4784
symmetric_docking 959

GrayLab.Jazz

Protocol jobs
supercharge 838
rna_denovo 435
snug_dock 69
pka 177
ligand_docking 609
tox_dock 13
docking2 2114
symmetric_docking 14
docking 3424
vip 362
sequence_tolerance 655
beta_peptide_design 19
meta 3
mp_lipid_acc 52
antibody 1343
ncbb_design 38
erraser 213

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 990
GrayLab.Jazz 1333
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 15,941 586,013 36.8 262 10,775.6
rna_denovo Feb 2012 1,663 135,072 81.2 29 864.1
erraser Oct 2012 231 343 1.5 3 4.4
beta_peptide_design Nov 2012 19 2 0.1 0 0.0
supercharge Nov 2012 990 296 0.3 22 4.2
antibody Dec 2012 4,844 2,307,604 476.4 94 39,387.0
ncbb_design Dec 2012 42 5,641 134.3 0 1.0
sequence_tolerance Jan 2013 708 53,384 75.4 15 1,419.7
vip Mar 2013 400 1,851 4.6 10 71.7
symmetric_docking Aug 2013 1,028 178,630 173.8 16 918.3
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,019 8,618 8.5 39 297.1
ligand_docking Jan 2014 3,445 172,549 50.1 91 6,710.0
peptiderive May 2015 1,813 354 0.2 99 12.7
make_exemplar Sep 2015 150 14 0.1 6 0.1
tox_dock May 2016 42 86,920 2,069.5 3 8,477.9
snug_dock May 2016 294 165,823 564.0 29 16,769.1
mp_lipid_acc Aug 2016 120 1 0.0 9 0.1
Total 32825 3,703,804 204.8 727 85,713.0


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):