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 1081
fixbb 1
tox_dock 3
snug_dock 59
pka 265
peptiderive 982
ligand_docking 1122
make_exemplar 81
mp_lipid_acc 48
docking2 4327
symmetric_docking 909

GrayLab.Jazz

Protocol jobs
supercharge 739
rna_denovo 435
snug_dock 46
pka 152
ligand_docking 509
tox_dock 12
docking2 1800
symmetric_docking 14
docking 3424
vip 326
sequence_tolerance 604
beta_peptide_design 19
meta 3
mp_lipid_acc 45
antibody 1269
ncbb_design 36
erraser 201

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 885
GrayLab.Jazz 1233
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 15,169 564,576 37.2 215 8,970.3
rna_denovo Feb 2012 1,573 131,904 83.9 23 491.9
erraser Oct 2012 218 336 1.5 1 4.6
beta_peptide_design Nov 2012 19 2 0.1 0 0.0
supercharge Nov 2012 886 276 0.3 11 1.6
antibody Dec 2012 4,573 2,178,588 476.4 100 60,422.9
ncbb_design Dec 2012 37 5,641 152.5 0 1.0
sequence_tolerance Jan 2013 646 47,152 73.0 14 829.3
vip Mar 2013 388 1,690 4.4 7 67.1
symmetric_docking Aug 2013 978 176,025 180.0 14 751.6
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 968 7,988 8.3 48 309.8
ligand_docking Jan 2014 3,130 161,232 51.5 81 7,085.6
peptiderive May 2015 1,458 300 0.2 71 6.4
make_exemplar Sep 2015 128 14 0.1 6 0.3
tox_dock May 2016 41 86,518 2,110.2 3 8,414.3
snug_dock May 2016 207 137,092 662.3 21 14,826.6
mp_lipid_acc Aug 2016 101 0 0.0 12 0.0
Total 30596 3,500,024 213.9 627 102,183.3


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):