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 17
rna_denovo 4085
snug_dock 304
pka 512
peptiderive 2825
ligand_docking 2886
make_exemplar 167
tox_dock 158
symmetric_docking 1096
rna_redesign 76
docking 403
fixbb 1
docking2 7196
mp_lipid_acc 1667
stepwise 43
antibody 1023

GrayLab.Jazz

Protocol jobs
supercharge 1076
rna_denovo 435
snug_dock 134
pka 262
ligand_docking 1175
tox_dock 23
docking2 2975
symmetric_docking 14
docking 3424
vip 428
sequence_tolerance 902
beta_peptide_design 26
meta 3
mp_lipid_acc 251
antibody 1538
ncbb_design 46
erraser 236

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 1386
GrayLab.Jazz 1543
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 19,295 646,622 33.5 254 5,400.9
rna_denovo Feb 2012 4,667 191,918 41.1 470 8,408.2
erraser Oct 2012 257 367 1.4 3 2.5
beta_peptide_design Nov 2012 26 3 0.1 0 0.1
supercharge Nov 2012 1,270 393 0.3 29 13.0
antibody Dec 2012 5,833 2,934,749 503.1 86 63,390.7
ncbb_design Dec 2012 50 6,535 130.7 1 148.2
sequence_tolerance Jan 2013 949 63,778 67.2 11 614.5
vip Mar 2013 509 2,625 5.2 6 81.3
symmetric_docking Aug 2013 1,170 183,542 156.9 10 466.7
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,325 11,072 8.4 29 258.2
ligand_docking Jan 2014 5,659 269,993 47.7 261 15,391.1
peptiderive May 2015 3,333 459 0.1 184 12.4
make_exemplar Sep 2015 215 14 0.1 2 0.0
tox_dock May 2016 220 196,831 894.7 25 14,244.7
snug_dock May 2016 551 358,904 651.4 19 14,263.6
mp_lipid_acc Aug 2016 1,926 16 0.0 203 1.8
stepwise Dec 2017 46 4,296 93.4 1 119.3
Total 47377 4,872,806 139.2 1,594 122,817.3


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):