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 1002
rna_denovo 4067
fixbb 1
tox_dock 150
snug_dock 302
pka 510
peptiderive 2807
symmetric_docking 1096
ligand_docking 2845
make_exemplar 165
mp_lipid_acc 1666
docking2 7176
stepwise 40

GrayLab.Jazz

Protocol jobs
supercharge 1072
rna_denovo 435
snug_dock 134
pka 262
ligand_docking 1174
tox_dock 22
docking2 2975
symmetric_docking 14
docking 3424
vip 426
sequence_tolerance 900
beta_peptide_design 26
meta 3
mp_lipid_acc 251
antibody 1537
ncbb_design 45
erraser 234

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 1376
GrayLab.Jazz 1535
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 19,270 646,261 33.5 253 5,468.8
rna_denovo Feb 2012 4,666 191,608 41.1 469 8,356.6
erraser Oct 2012 257 365 1.4 2 2.1
beta_peptide_design Nov 2012 26 3 0.1 1 0.1
supercharge Nov 2012 1,266 375 0.3 26 10.0
antibody Dec 2012 5,807 2,928,021 504.2 84 63,772.6
ncbb_design Dec 2012 50 6,357 127.1 0 118.5
sequence_tolerance Jan 2013 945 63,558 67.3 11 604.3
vip Mar 2013 499 2,601 5.2 6 77.3
symmetric_docking Aug 2013 1,170 183,542 156.9 10 477.9
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,324 11,067 8.4 31 257.4
ligand_docking Jan 2014 5,629 260,895 46.3 259 13,923.4
peptiderive May 2015 3,319 458 0.1 185 12.4
make_exemplar Sep 2015 213 14 0.1 2 0.0
tox_dock May 2016 218 180,902 829.8 24 12,221.8
snug_dock May 2016 549 356,486 649.3 20 16,184.1
mp_lipid_acc Aug 2016 1,925 16 0.0 203 1.8
stepwise Dec 2017 40 4,193 104.8 1 116.5
Total 47249 4,837,412 136.1 1,587 121,605.6


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):