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 28
supercharge 988
rna_denovo 5133
snug_dock 2323
pka 1343
peptiderive 7113
ligand_docking 13496
make_exemplar 328
tox_dock 273
rnp_ddg 544
stepwise 91
rna_redesign 76
docking 403
fixbb 1
docking2 13322
mp_lipid_acc 1817
symmetric_docking 2312
antibody 3614
farfar2 1679

GrayLab.Jazz

Protocol jobs
supercharge 1707
rna_thread 22
rna_info 95
rna_denovo 435
snug_dock 1411
auto_drrafter 14
ligand_docking 10018
tox_dock 121
docking2 6414
symmetric_docking 14
pka 999
docking 3424
renumber_pdb 64
vip 1057
sequence_tolerance 1965
beta_peptide_design 45
meta 3
mp_lipid_acc 403
rnp_ddg 537
erraser 665
antibody 3427
ncbb_design 94
farfar2 846

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 3373
GrayLab.Jazz 3111
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 29,911 914,965 30.6 148 5,918.3
rna_denovo Feb 2012 5,700 219,238 38.5 20 266.6
erraser Oct 2012 743 1,637 2.2 11 17.4
beta_peptide_design Nov 2012 48 4 0.1 0 0.0
supercharge Nov 2012 2,962 813 0.3 18 2.9
antibody Dec 2012 10,938 6,012,958 549.7 100 12,188.4
ncbb_design Dec 2012 103 11,184 108.6 2 202.8
sequence_tolerance Jan 2013 2,131 130,088 61.0 12 650.0
vip Mar 2013 1,145 10,458 9.1 9 142.6
symmetric_docking Aug 2013 2,475 220,202 89.0 18 688.1
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,991 23,475 7.8 19 177.2
ligand_docking Jan 2014 25,553 664,517 26.0 107 1,554.2
peptiderive May 2015 7,899 1,038 0.1 71 10.3
make_exemplar Sep 2015 379 31 0.1 1 0.0
tox_dock May 2016 439 478,240 1,089.4 0 320.8
snug_dock May 2016 4,855 2,990,323 615.9 38 16,500.2
mp_lipid_acc Aug 2016 2,229 23 0.0 3 0.0
stepwise Dec 2017 93 6,891 74.1 0 0.3
farfar2 Sep 2018 3,042 4,035,451 1,326.6 75 72,772.4
rnp_ddg Oct 2018 1,087 23,100 21.3 138 2,143.9
rna_info Jan 2020 96 0 0.0 2 0.0
renumber_pdb Jan 2020 64 0 0.0 1 0.0
rna_thread Jan 2020 26 0 0.0 0 0.0
auto_drrafter Feb 2020 14 3,748 267.7 0 0.0
cov_pep_dock Feb 2021 33 23,616 715.6 0 218.1
Total 105032 15,772,691 194.0 793 113,774.4


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):