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 89
supercharge 1584
rna_denovo 5962
snug_dock 3036
pka 1702
peptiderive 10571
ligand_docking 17234
make_exemplar 358
tox_dock 331
rnp_ddg 571
stepwise 139
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1874
symmetric_docking 2859
antibody 3669
farfar2 3715

GrayLab.Jazz

Protocol jobs
supercharge 1951
rna_thread 56
rna_info 270
rna_denovo 435
snug_dock 1785
auto_drrafter 19
ligand_docking 11758
tox_dock 139
docking2 6417
symmetric_docking 14
pka 1158
docking 3424
renumber_pdb 77
vip 1203
sequence_tolerance 2444
beta_peptide_design 53
meta 3
mp_lipid_acc 440
rnp_ddg 564
erraser 810
antibody 3418
ncbb_design 114
farfar2 1830

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 4248
GrayLab.Jazz 3589
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 29,911 917,243 30.7 0 0.0
rna_denovo Feb 2012 6,654 244,109 36.7 9 226.3
erraser Oct 2012 902 2,135 2.4 2 9.1
beta_peptide_design Nov 2012 57 4 0.1 0 0.0
supercharge Nov 2012 3,822 1,107 0.3 21 8.6
antibody Dec 2012 10,938 6,074,269 555.3 0 0.0
ncbb_design Dec 2012 123 19,240 156.4 1 314.4
sequence_tolerance Jan 2013 2,624 151,736 57.8 24 1,028.7
vip Mar 2013 1,293 11,998 9.3 9 76.1
symmetric_docking Aug 2013 3,003 237,254 79.0 12 355.2
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,518 26,940 7.7 12 70.7
ligand_docking Jan 2014 31,124 1,293,072 41.5 281 39,756.1
peptiderive May 2015 11,407 1,479 0.1 109 13.1
make_exemplar Sep 2015 410 31 0.1 1 0.0
tox_dock May 2016 515 666,016 1,293.2 2 2,663.9
snug_dock May 2016 5,975 3,884,389 650.1 8 2,083.5
mp_lipid_acc Aug 2016 2,323 24 0.0 2 0.0
stepwise Dec 2017 141 6,923 49.1 0 0.7
farfar2 Sep 2018 5,960 12,291,707 2,062.4 115 192,414.1
rnp_ddg Oct 2018 1,142 25,016 21.9 0 8.8
rna_info Jan 2020 271 0 0.0 5 0.0
renumber_pdb Jan 2020 77 0 0.0 0 0.0
rna_thread Jan 2020 60 0 0.0 1 0.0
auto_drrafter Feb 2020 19 3,933 207.0 0 0.0
cov_pep_dock Feb 2021 95 65,266 687.0 4 3,501.2
Total 122440 25,924,581 229.1 618 242,530.4


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):