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
rna_redesign 76
docking 403
antibody 576
rna_denovo 1252
fixbb 1
tox_dock 12
snug_dock 214
pka 364
peptiderive 1696
ligand_docking 1701
make_exemplar 153
mp_lipid_acc 504
docking2 6031
symmetric_docking 1032

GrayLab.Jazz

Protocol jobs
supercharge 915
rna_denovo 435
snug_dock 101
pka 220
ligand_docking 762
tox_dock 15
docking2 2602
symmetric_docking 14
docking 3424
vip 389
sequence_tolerance 832
beta_peptide_design 20
meta 3
mp_lipid_acc 195
antibody 1456
ncbb_design 40
erraser 218

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 1168
GrayLab.Jazz 1435
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 17,698 612,570 34.6 354 5,442.8
rna_denovo Feb 2012 1,739 141,474 81.4 14 1,110.0
erraser Oct 2012 237 352 1.5 1 1.6
beta_peptide_design Nov 2012 24 2 0.1 0 0.0
supercharge Nov 2012 1,079 314 0.3 16 3.8
antibody Dec 2012 5,265 2,542,636 482.9 114 51,741.4
ncbb_design Dec 2012 44 5,646 128.3 0 0.8
sequence_tolerance Jan 2013 870 59,932 68.9 34 1,767.8
vip Mar 2013 433 2,138 4.9 5 51.4
symmetric_docking Aug 2013 1,102 180,649 163.9 14 500.1
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,141 9,516 8.3 22 180.7
ligand_docking Jan 2014 4,003 177,300 44.3 106 938.2
peptiderive May 2015 2,191 384 0.2 92 5.8
make_exemplar Sep 2015 201 14 0.1 10 0.0
tox_dock May 2016 54 105,369 1,951.3 1 3,074.9
snug_dock May 2016 426 259,428 609.0 27 19,205.2
mp_lipid_acc Aug 2016 707 6 0.0 98 0.9
Total 37290 4,098,418 199.4 908 84,025.2


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):