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 923
rna_denovo 3713
fixbb 1
tox_dock 144
snug_dock 295
pka 469
peptiderive 2722
symmetric_docking 1088
ligand_docking 2778
make_exemplar 161
mp_lipid_acc 1660
docking2 6992
stepwise 32

GrayLab.Jazz

Protocol jobs
supercharge 1043
rna_denovo 435
snug_dock 134
pka 260
ligand_docking 1165
tox_dock 22
docking2 2975
symmetric_docking 14
docking 3424
vip 419
sequence_tolerance 892
beta_peptide_design 26
meta 3
mp_lipid_acc 251
antibody 1533
ncbb_design 45
erraser 232

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 1348
GrayLab.Jazz 1527
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 19,057 637,605 33.5 250 4,583.3
rna_denovo Feb 2012 4,237 189,003 44.6 412 7,949.2
erraser Oct 2012 255 364 1.4 2 1.9
beta_peptide_design Nov 2012 26 3 0.1 1 0.1
supercharge Nov 2012 1,224 355 0.3 27 7.0
antibody Dec 2012 5,719 2,886,413 504.7 78 61,786.3
ncbb_design Dec 2012 49 6,357 129.7 1 118.6
sequence_tolerance Jan 2013 934 63,344 67.8 29 749.8
vip Mar 2013 465 2,490 5.4 6 67.0
symmetric_docking Aug 2013 1,162 183,320 157.8 10 463.6
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,279 10,585 8.3 27 183.1
ligand_docking Jan 2014 5,545 242,300 43.7 275 11,364.1
peptiderive May 2015 3,230 447 0.1 177 11.2
make_exemplar Sep 2015 209 14 0.1 6 0.0
tox_dock May 2016 194 169,595 874.2 23 10,728.2
snug_dock May 2016 542 352,929 651.2 24 19,679.2
mp_lipid_acc Aug 2016 1,919 16 0.0 203 1.8
stepwise Dec 2017 33 2,931 88.8 0 81.4
Total 46155 4,748,757 137.9 1,551 117,775.9


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):