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 935
rna_denovo 4981
snug_dock 2190
pka 1285
peptiderive 6599
ligand_docking 13151
make_exemplar 320
tox_dock 271
rnp_ddg 114
stepwise 86
rna_redesign 76
docking 403
fixbb 1
docking2 12803
mp_lipid_acc 1814
symmetric_docking 2191
antibody 3294
farfar2 1442

GrayLab.Jazz

Protocol jobs
supercharge 1625
rna_thread 22
rna_info 80
rna_denovo 435
snug_dock 1261
auto_drrafter 14
ligand_docking 9618
tox_dock 121
docking2 5916
symmetric_docking 14
pka 891
docking 3424
renumber_pdb 47
vip 996
sequence_tolerance 1885
beta_peptide_design 45
meta 3
mp_lipid_acc 386
rnp_ddg 125
erraser 592
antibody 3071
ncbb_design 79
farfar2 587

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 3169
GrayLab.Jazz 2885
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 28,822 876,718 30.4 139 5,408.5
rna_denovo Feb 2012 5,533 215,068 38.9 15 367.8
erraser Oct 2012 658 1,518 2.3 10 6.3
beta_peptide_design Nov 2012 47 4 0.1 0 0.0
supercharge Nov 2012 2,817 793 0.3 31 22.7
antibody Dec 2012 10,430 5,544,259 531.6 64 25,743.7
ncbb_design Dec 2012 88 9,968 113.3 0 0.0
sequence_tolerance Jan 2013 2,028 125,893 62.1 25 1,419.8
vip Mar 2013 1,077 9,494 8.8 9 130.6
symmetric_docking Aug 2013 2,304 215,590 93.6 28 753.8
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,784 21,977 7.9 32 228.9
ligand_docking Jan 2014 24,669 651,200 26.4 120 4,634.0
peptiderive May 2015 7,227 956 0.1 77 9.2
make_exemplar Sep 2015 371 31 0.1 2 0.0
tox_dock May 2016 437 476,315 1,090.0 2 3,457.3
snug_dock May 2016 4,516 2,863,478 634.1 32 5,723.8
mp_lipid_acc Aug 2016 2,209 23 0.0 5 0.0
stepwise Dec 2017 88 6,878 78.2 0 0.0
farfar2 Sep 2018 2,263 3,278,578 1,448.8 62 118,441.6
rnp_ddg Oct 2018 245 10,155 41.4 18 972.8
rna_info Jan 2020 81 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 1 210.5
cov_pep_dock Feb 2021 20 22,307 1,115.4 2 2,688.5
Total 98877 14,335,640 215.4 682 170,219.6


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):