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 438
rna_denovo 4512
snug_dock 962
pka 777
peptiderive 4499
ligand_docking 10152
make_exemplar 238
tox_dock 219
rnp_ddg 23
stepwise 69
rna_redesign 76
docking 403
fixbb 1
docking2 10234
mp_lipid_acc 1693
symmetric_docking 1434
antibody 1908
farfar2 73

GrayLab.Jazz

Protocol jobs
supercharge 1379
rna_denovo 435
snug_dock 712
pka 571
ligand_docking 8363
tox_dock 99
docking2 4755
symmetric_docking 14
docking 3424
vip 811
sequence_tolerance 1279
beta_peptide_design 33
meta 3
mp_lipid_acc 277
rnp_ddg 23
erraser 342
antibody 2266
ncbb_design 56
farfar2 37

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 1866
GrayLab.Jazz 1954
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 24,231 723,716 29.9 388 6,021.9
rna_denovo Feb 2012 5,047 205,741 40.8 28 1,464.3
erraser Oct 2012 370 613 1.7 7 10.7
beta_peptide_design Nov 2012 35 3 0.1 0 0.0
supercharge Nov 2012 2,020 563 0.3 34 5.1
antibody Dec 2012 7,482 3,906,962 522.2 85 48,524.7
ncbb_design Dec 2012 60 9,276 154.6 0 0.0
sequence_tolerance Jan 2013 1,341 96,648 72.1 27 1,947.9
vip Mar 2013 882 7,257 8.2 46 635.6
symmetric_docking Aug 2013 1,513 193,132 127.6 23 523.1
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,915 15,283 8.0 30 222.9
ligand_docking Jan 2014 20,223 500,682 24.8 215 17,662.3
peptiderive May 2015 5,047 621 0.1 88 9.8
make_exemplar Sep 2015 287 14 0.0 5 0.0
tox_dock May 2016 360 328,715 913.1 1 973.6
snug_dock May 2016 1,928 1,718,076 891.1 95 92,831.0
mp_lipid_acc Aug 2016 1,978 17 0.0 3 0.0
stepwise Dec 2017 69 6,874 99.6 0 0.2
farfar2 Sep 2018 113 2,875 25.4 10 263.4
rnp_ddg Oct 2018 46 1,672 36.4 4 185.2
Total 75023 7,719,430 141.2 1,089 171,281.9


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):