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
supercharge 53
rna_denovo 4224
snug_dock 397
pka 563
peptiderive 3062
ligand_docking 3121
make_exemplar 171
tox_dock 193
symmetric_docking 1172
rna_redesign 76
docking 403
fixbb 1
docking2 7521
mp_lipid_acc 1668
stepwise 56
antibody 1178

GrayLab.Jazz

Protocol jobs
supercharge 1108
rna_denovo 435
snug_dock 212
pka 311
ligand_docking 1453
tox_dock 73
docking2 3354
symmetric_docking 14
docking 3424
vip 499
sequence_tolerance 1009
beta_peptide_design 26
meta 3
mp_lipid_acc 262
antibody 1696
ncbb_design 46
erraser 248

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 1463
GrayLab.Jazz 1631
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 19,968 658,339 33.0 232 5,363.8
rna_denovo Feb 2012 4,754 195,048 41.0 232 1,687.1
erraser Oct 2012 271 379 1.4 3 3.6
beta_peptide_design Nov 2012 26 3 0.1 0 0.1
supercharge Nov 2012 1,338 406 0.3 35 13.5
antibody Dec 2012 6,140 3,132,827 510.2 98 66,296.3
ncbb_design Dec 2012 50 6,535 130.7 0 62.7
sequence_tolerance Jan 2013 1,055 74,771 70.9 24 2,153.7
vip Mar 2013 555 3,168 5.7 17 160.0
symmetric_docking Aug 2013 1,247 185,682 148.9 16 527.2
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,430 11,606 8.1 32 256.7
ligand_docking Jan 2014 6,192 273,057 44.1 165 8,112.0
peptiderive May 2015 3,575 474 0.1 87 9.2
make_exemplar Sep 2015 219 14 0.1 1 0.0
tox_dock May 2016 308 298,279 968.4 35 25,413.8
snug_dock May 2016 762 604,332 793.1 33 46,397.5
mp_lipid_acc Aug 2016 1,938 16 0.0 149 1.4
stepwise Dec 2017 56 4,607 82.3 0 46.6
Total 49960 5,450,233 149.9 1,159 156,505.2


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):