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 497
rna_denovo 1228
fixbb 1
tox_dock 12
snug_dock 178
pka 344
peptiderive 1578
ligand_docking 1566
make_exemplar 119
mp_lipid_acc 79
docking2 5738
symmetric_docking 1014

GrayLab.Jazz

Protocol jobs
supercharge 869
rna_denovo 435
snug_dock 85
pka 192
ligand_docking 652
tox_dock 13
docking2 2382
symmetric_docking 14
docking 3424
vip 373
sequence_tolerance 707
beta_peptide_design 19
meta 3
mp_lipid_acc 54
antibody 1420
ncbb_design 39
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 1111
GrayLab.Jazz 1392
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 17,234 604,905 35.1 331 6,642.3
rna_denovo Feb 2012 1,712 138,942 81.2 24 1,144.8
erraser Oct 2012 232 343 1.5 2 1.1
beta_peptide_design Nov 2012 19 2 0.1 0 0.0
supercharge Nov 2012 1,013 311 0.3 21 4.1
antibody Dec 2012 5,156 2,486,223 482.2 108 46,364.1
ncbb_design Dec 2012 43 5,645 131.3 0 0.7
sequence_tolerance Jan 2013 743 54,886 73.9 17 1,089.1
vip Mar 2013 412 2,023 4.9 7 41.5
symmetric_docking Aug 2013 1,083 180,320 166.5 16 706.8
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,085 9,180 8.5 19 178.0
ligand_docking Jan 2014 3,740 173,691 46.4 96 2,070.2
peptiderive May 2015 2,069 361 0.2 99 10.2
make_exemplar Sep 2015 167 14 0.1 6 0.0
tox_dock May 2016 52 103,741 1,995.0 1 2,870.5
snug_dock May 2016 381 220,224 578.0 26 13,855.4
mp_lipid_acc Aug 2016 141 1 0.0 6 0.1
Total 35358 3,981,502 200.8 779 74,978.8


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):