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 59
rna_denovo 1167
fixbb 1
tox_dock 3
snug_dock 97
pka 282
peptiderive 1156
ligand_docking 1264
make_exemplar 92
mp_lipid_acc 58
docking2 4658
symmetric_docking 946

GrayLab.Jazz

Protocol jobs
supercharge 818
rna_denovo 435
snug_dock 55
pka 168
ligand_docking 577
tox_dock 13
docking2 1861
symmetric_docking 14
docking 3424
vip 356
sequence_tolerance 631
beta_peptide_design 19
meta 3
mp_lipid_acc 51
antibody 1289
ncbb_design 36
erraser 210

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 951
GrayLab.Jazz 1311
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 15,744 575,440 36.5 238 9,853.6
rna_denovo Feb 2012 1,650 134,814 81.7 29 842.7
erraser Oct 2012 228 342 1.5 2 4.8
beta_peptide_design Nov 2012 19 2 0.1 0 0.0
supercharge Nov 2012 961 292 0.3 21 3.7
antibody Dec 2012 4,737 2,215,354 467.7 68 38,873.0
ncbb_design Dec 2012 40 5,641 141.0 0 0.9
sequence_tolerance Jan 2013 664 49,326 74.3 14 909.2
vip Mar 2013 394 1,830 4.6 10 69.9
symmetric_docking Aug 2013 1,016 177,586 174.8 16 833.8
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 997 8,456 8.5 47 347.5
ligand_docking Jan 2014 3,341 171,745 51.4 90 7,113.4
peptiderive May 2015 1,674 349 0.2 78 13.7
make_exemplar Sep 2015 139 14 0.1 6 0.1
tox_dock May 2016 42 86,920 2,069.5 3 8,477.9
snug_dock May 2016 255 141,699 555.7 25 14,093.8
mp_lipid_acc Aug 2016 117 1 0.0 13 0.1
Total 32094 3,570,499 204.3 660 81,438.2


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):