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
rna_denovo 1028
fixbb 1
tox_dock 3
snug_dock 56
pka 233
peptiderive 892
ligand_docking 1023
make_exemplar 76
mp_lipid_acc 44
docking2 4152
symmetric_docking 893

GrayLab.Jazz

Protocol jobs
supercharge 723
rna_denovo 435
snug_dock 46
pka 152
ligand_docking 509
tox_dock 12
docking2 1799
symmetric_docking 14
docking 3424
vip 321
sequence_tolerance 601
beta_peptide_design 19
meta 3
mp_lipid_acc 45
antibody 1236
ncbb_design 35
erraser 199

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 830
GrayLab.Jazz 1225
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 14,936 557,369 37.3 221 9,867.7
rna_denovo Feb 2012 1,510 130,603 86.5 18 706.3
erraser Oct 2012 214 330 1.5 1 3.5
beta_peptide_design Nov 2012 19 2 0.1 0 0.0
supercharge Nov 2012 849 276 0.3 9 1.7
antibody Dec 2012 4,475 2,176,954 486.5 111 67,702.4
ncbb_design Dec 2012 36 5,635 156.5 0 0.0
sequence_tolerance Jan 2013 631 46,841 74.2 16 984.9
vip Mar 2013 357 1,630 4.6 6 57.1
symmetric_docking Aug 2013 960 175,156 182.5 15 938.7
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 929 7,736 8.3 47 298.3
ligand_docking Jan 2014 3,026 149,503 49.4 82 5,444.2
peptiderive May 2015 1,367 294 0.2 92 7.4
make_exemplar Sep 2015 123 14 0.1 6 0.3
tox_dock May 2016 41 86,518 2,110.2 4 11,076.8
snug_dock May 2016 204 136,892 671.0 22 14,842.4
mp_lipid_acc Aug 2016 97 0 0.0 13 0.0
Total 29850 3,476,443 215.5 663 111,931.7


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):