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 376
rna_denovo 4453
snug_dock 810
pka 740
peptiderive 4312
ligand_docking 9961
make_exemplar 231
tox_dock 219
rnp_ddg 20
stepwise 67
rna_redesign 76
docking 403
fixbb 1
docking2 9991
mp_lipid_acc 1690
symmetric_docking 1380
antibody 1795
farfar2 48

GrayLab.Jazz

Protocol jobs
supercharge 1350
rna_denovo 435
snug_dock 565
pka 537
ligand_docking 8161
tox_dock 98
docking2 4532
symmetric_docking 14
docking 3424
vip 736
sequence_tolerance 1218
beta_peptide_design 33
meta 3
mp_lipid_acc 274
rnp_ddg 19
erraser 322
antibody 2174
ncbb_design 56
farfar2 12

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 1797
GrayLab.Jazz 1879
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 23,729 710,987 30.0 490 6,634.5
rna_denovo Feb 2012 4,982 200,259 40.2 23 724.8
erraser Oct 2012 349 563 1.6 6 6.0
beta_peptide_design Nov 2012 35 3 0.1 1 0.1
supercharge Nov 2012 1,921 559 0.3 29 6.9
antibody Dec 2012 7,261 3,753,287 516.9 116 61,845.9
ncbb_design Dec 2012 60 9,276 154.6 0 0.0
sequence_tolerance Jan 2013 1,279 91,980 71.9 24 1,716.2
vip Mar 2013 823 6,080 7.4 35 450.3
symmetric_docking Aug 2013 1,461 191,329 131.0 24 649.6
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,837 14,776 8.0 43 325.4
ligand_docking Jan 2014 19,808 488,255 24.6 904 25,896.8
peptiderive May 2015 4,852 611 0.1 127 17.3
make_exemplar Sep 2015 280 14 0.1 5 0.0
tox_dock May 2016 359 327,803 913.1 2 1,091.8
snug_dock May 2016 1,528 1,367,935 895.2 69 50,348.8
mp_lipid_acc Aug 2016 1,972 17 0.0 3 0.0
stepwise Dec 2017 67 6,871 102.5 0 62.9
farfar2 Sep 2018 60 2,586 43.1 5 257.7
rnp_ddg Oct 2018 39 1,117 28.6 3 92.6
Total 72778 7,174,998 141.8 1,909 150,127.9


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):