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 611
rna_denovo 1826
fixbb 1
tox_dock 14
snug_dock 224
pka 391
peptiderive 2004
symmetric_docking 1045
ligand_docking 1966
make_exemplar 153
mp_lipid_acc 504
docking2 6201
stepwise 20

GrayLab.Jazz

Protocol jobs
supercharge 928
rna_denovo 435
snug_dock 109
pka 243
ligand_docking 1007
tox_dock 16
docking2 2760
symmetric_docking 14
docking 3424
vip 392
sequence_tolerance 839
beta_peptide_design 24
meta 3
mp_lipid_acc 195
antibody 1479
ncbb_design 40
erraser 219

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 1195
GrayLab.Jazz 1461
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 18,025 617,041 34.2 345 5,190.6
rna_denovo Feb 2012 2,316 158,888 68.6 107 3,969.2
erraser Oct 2012 238 354 1.5 1 1.9
beta_peptide_design Nov 2012 24 2 0.1 0 0.0
supercharge Nov 2012 1,089 316 0.3 15 3.4
antibody Dec 2012 5,325 2,570,869 482.8 81 43,877.6
ncbb_design Dec 2012 44 5,646 128.3 0 0.7
sequence_tolerance Jan 2013 877 60,278 68.7 30 1,027.6
vip Mar 2013 436 2,154 4.9 5 50.4
symmetric_docking Aug 2013 1,114 180,886 162.4 15 386.1
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,183 9,672 8.2 28 183.6
ligand_docking Jan 2014 4,505 197,485 43.8 172 4,156.1
peptiderive May 2015 2,510 393 0.2 114 6.4
make_exemplar Sep 2015 201 14 0.1 8 0.0
tox_dock May 2016 56 111,362 1,988.6 2 4,073.7
snug_dock May 2016 446 275,356 617.4 24 18,255.5
mp_lipid_acc Aug 2016 707 6 0.0 97 0.8
stepwise Dec 2017 20 2,579 128.9 0 71.6
Total 39192 4,193,989 197.3 1,044 81,255.5


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):