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 289
rna_denovo 4308
snug_dock 549
pka 611
peptiderive 3539
ligand_docking 6820
make_exemplar 200
tox_dock 213
rnp_ddg 6
stepwise 57
rna_redesign 76
docking 403
fixbb 1
docking2 7908
mp_lipid_acc 1676
symmetric_docking 1232
antibody 1390
farfar2 26

GrayLab.Jazz

Protocol jobs
supercharge 1240
rna_denovo 435
snug_dock 399
pka 398
ligand_docking 3367
tox_dock 92
docking2 3611
symmetric_docking 14
docking 3424
vip 521
sequence_tolerance 1062
beta_peptide_design 27
meta 3
mp_lipid_acc 266
rnp_ddg 7
erraser 285
antibody 1858
ncbb_design 56
farfar2 1

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 1603
GrayLab.Jazz 1727
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 20,617 670,119 32.5 167 3,095.6
rna_denovo Feb 2012 4,837 195,883 40.5 24 279.0
erraser Oct 2012 309 527 1.7 7 26.1
beta_peptide_design Nov 2012 27 3 0.1 0 0.0
supercharge Nov 2012 1,723 491 0.3 66 15.5
antibody Dec 2012 6,530 3,367,385 515.7 93 54,692.8
ncbb_design Dec 2012 60 9,276 154.6 1 456.9
sequence_tolerance Jan 2013 1,108 81,204 73.3 14 1,575.8
vip Mar 2013 577 3,379 5.9 6 66.5
symmetric_docking Aug 2013 1,310 187,386 143.0 13 365.4
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,568 12,756 8.1 35 256.9
ligand_docking Jan 2014 13,201 327,499 24.8 982 9,342.9
peptiderive May 2015 4,061 507 0.1 109 7.3
make_exemplar Sep 2015 248 14 0.1 5 0.0
tox_dock May 2016 347 321,252 925.8 11 9,419.2
snug_dock May 2016 1,095 1,064,927 972.5 79 99,699.8
mp_lipid_acc Aug 2016 1,950 17 0.0 3 0.0
stepwise Dec 2017 57 4,607 80.8 0 0.1
farfar2 Sep 2018 27 1,040 38.5 4 173.3
rnp_ddg Oct 2018 13 358 27.5 2 59.6
Total 59741 6,249,317 145.5 1,621 179,532.7


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):