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
cov_pep_dock 18
supercharge 910
rna_denovo 4949
snug_dock 2182
pka 1273
peptiderive 6467
ligand_docking 13096
make_exemplar 319
tox_dock 269
rnp_ddg 110
stepwise 86
rna_redesign 76
docking 403
fixbb 1
docking2 12719
mp_lipid_acc 1813
symmetric_docking 2168
antibody 3254
farfar2 1385

GrayLab.Jazz

Protocol jobs
supercharge 1590
rna_thread 22
rna_info 78
rna_denovo 435
snug_dock 1238
auto_drrafter 14
ligand_docking 9538
tox_dock 120
docking2 5763
symmetric_docking 14
pka 863
docking 3424
renumber_pdb 47
vip 985
sequence_tolerance 1857
beta_peptide_design 45
meta 3
mp_lipid_acc 386
rnp_ddg 118
erraser 573
antibody 3017
ncbb_design 79
farfar2 547

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 3112
GrayLab.Jazz 2831
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 28,706 862,851 30.1 130 3,894.8
rna_denovo Feb 2012 5,489 214,784 39.1 16 328.3
erraser Oct 2012 634 1,511 2.4 7 5.3
beta_peptide_design Nov 2012 47 4 0.1 0 0.0
supercharge Nov 2012 2,755 758 0.3 28 18.8
antibody Dec 2012 10,352 5,469,439 528.3 64 24,866.5
ncbb_design Dec 2012 88 9,968 113.3 0 0.0
sequence_tolerance Jan 2013 1,998 123,364 61.7 22 1,041.8
vip Mar 2013 1,065 9,367 8.8 8 123.1
symmetric_docking Aug 2013 2,280 214,779 94.2 38 1,135.5
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,753 21,560 7.8 34 231.3
ligand_docking Jan 2014 24,563 650,646 26.5 133 7,767.5
peptiderive May 2015 7,142 945 0.1 74 12.0
make_exemplar Sep 2015 370 31 0.1 2 0.0
tox_dock May 2016 434 470,406 1,083.9 2 2,834.7
snug_dock May 2016 4,485 2,851,988 635.9 39 3,823.2
mp_lipid_acc Aug 2016 2,208 23 0.0 7 0.6
stepwise Dec 2017 88 6,878 78.2 0 0.0
farfar2 Sep 2018 2,177 3,046,858 1,399.6 57 93,813.0
rnp_ddg Oct 2018 235 9,702 41.3 17 904.0
rna_info Jan 2020 79 0 0.0 6 0.0
renumber_pdb Jan 2020 47 0 0.0 1 0.0
rna_thread Jan 2020 26 0 0.0 1 0.0
auto_drrafter Feb 2020 14 3,748 267.7 1 324.6
cov_pep_dock Feb 2021 20 22,307 1,115.4 2 2,688.5
Total 98131 13,992,605 213.2 689 143,813.5


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):