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 332
rna_denovo 4370
snug_dock 659
pka 697
peptiderive 4031
ligand_docking 9380
make_exemplar 211
tox_dock 219
rnp_ddg 9
stepwise 62
rna_redesign 76
docking 403
fixbb 1
docking2 8539
mp_lipid_acc 1682
symmetric_docking 1313
antibody 1604
farfar2 39

GrayLab.Jazz

Protocol jobs
supercharge 1313
rna_denovo 435
snug_dock 531
pka 519
ligand_docking 8008
tox_dock 97
docking2 4402
symmetric_docking 14
docking 3424
vip 553
sequence_tolerance 1127
beta_peptide_design 32
meta 3
mp_lipid_acc 271
rnp_ddg 9
erraser 313
antibody 2128
ncbb_design 56
farfar2 10

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 1711
GrayLab.Jazz 1833
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 22,141 697,473 31.5 309 5,750.8
rna_denovo Feb 2012 4,899 197,163 40.2 19 258.2
erraser Oct 2012 339 550 1.6 9 19.2
beta_peptide_design Nov 2012 32 3 0.1 0 0.1
supercharge Nov 2012 1,839 552 0.3 73 19.3
antibody Dec 2012 7,023 3,652,683 520.1 114 71,636.5
ncbb_design Dec 2012 60 9,276 154.6 0 255.5
sequence_tolerance Jan 2013 1,173 86,129 73.4 15 1,131.8
vip Mar 2013 609 3,655 6.0 6 53.0
symmetric_docking Aug 2013 1,390 190,319 136.9 18 681.1
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,776 14,398 8.1 44 351.7
ligand_docking Jan 2014 19,060 428,262 22.5 1,868 22,282.8
peptiderive May 2015 4,564 590 0.1 127 17.4
make_exemplar Sep 2015 259 14 0.1 5 0.0
tox_dock May 2016 358 324,945 907.7 3 2,980.1
snug_dock May 2016 1,339 1,199,194 895.6 62 45,846.0
mp_lipid_acc Aug 2016 1,961 17 0.0 2 0.0
stepwise Dec 2017 62 6,866 110.7 0 62.7
farfar2 Sep 2018 49 2,573 52.5 4 257.2
rnp_ddg Oct 2018 18 597 33.2 2 99.1
Total 69027 6,815,947 143.1 2,680 151,702.5


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):