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 415
rna_denovo 4489
snug_dock 875
pka 758
peptiderive 4447
ligand_docking 10114
make_exemplar 237
tox_dock 219
rnp_ddg 23
stepwise 68
rna_redesign 76
docking 403
fixbb 1
docking2 10134
mp_lipid_acc 1693
symmetric_docking 1418
antibody 1876
farfar2 63

GrayLab.Jazz

Protocol jobs
supercharge 1361
rna_denovo 435
snug_dock 605
pka 552
ligand_docking 8297
tox_dock 98
docking2 4621
symmetric_docking 14
docking 3424
vip 766
sequence_tolerance 1261
beta_peptide_design 33
meta 3
mp_lipid_acc 276
rnp_ddg 22
erraser 331
antibody 2232
ncbb_design 56
farfar2 25

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 1836
GrayLab.Jazz 1925
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 23,964 715,837 29.9 448 5,910.1
rna_denovo Feb 2012 5,018 200,896 40.0 26 672.7
erraser Oct 2012 359 606 1.7 6 12.2
beta_peptide_design Nov 2012 35 3 0.1 1 0.1
supercharge Nov 2012 1,972 561 0.3 28 4.9
antibody Dec 2012 7,422 3,852,735 519.1 110 54,198.6
ncbb_design Dec 2012 60 9,276 154.6 0 0.0
sequence_tolerance Jan 2013 1,311 94,868 72.4 29 2,072.3
vip Mar 2013 879 6,660 7.6 39 541.6
symmetric_docking Aug 2013 1,496 192,806 128.9 24 732.7
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,875 15,114 8.1 38 269.8
ligand_docking Jan 2014 20,105 492,726 24.5 550 24,515.4
peptiderive May 2015 4,986 618 0.1 114 17.1
make_exemplar Sep 2015 286 14 0.0 5 0.0
tox_dock May 2016 359 327,803 913.1 1 869.3
snug_dock May 2016 1,634 1,509,820 924.0 77 63,585.3
mp_lipid_acc Aug 2016 1,977 17 0.0 3 0.0
stepwise Dec 2017 68 6,874 101.1 0 63.0
farfar2 Sep 2018 91 2,831 31.1 7 268.6
rnp_ddg Oct 2018 45 1,570 34.9 4 168.2
Total 74018 7,432,324 142.9 1,510 153,901.8


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):