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 12
supercharge 878
rna_denovo 4927
snug_dock 2172
pka 1242
peptiderive 6409
ligand_docking 13066
make_exemplar 318
tox_dock 269
rnp_ddg 88
stepwise 86
rna_redesign 76
docking 403
fixbb 1
docking2 12697
mp_lipid_acc 1811
symmetric_docking 2119
antibody 3229
farfar2 1371

GrayLab.Jazz

Protocol jobs
supercharge 1535
rna_thread 21
rna_info 56
rna_denovo 435
snug_dock 1224
auto_drrafter 9
ligand_docking 9477
tox_dock 118
docking2 5707
symmetric_docking 14
pka 799
docking 3424
renumber_pdb 41
vip 968
sequence_tolerance 1818
beta_peptide_design 44
meta 3
mp_lipid_acc 369
rnp_ddg 65
erraser 538
antibody 2960
ncbb_design 79
farfar2 514

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 3043
GrayLab.Jazz 2740
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 28,517 856,849 30.0 138 3,739.0
rna_denovo Feb 2012 5,468 214,563 39.2 13 314.5
erraser Oct 2012 596 1,501 2.5 2 5.6
beta_peptide_design Nov 2012 46 4 0.1 0 0.0
supercharge Nov 2012 2,670 670 0.3 15 4.6
antibody Dec 2012 10,250 5,447,878 531.5 60 31,579.4
ncbb_design Dec 2012 88 9,968 113.3 0 0.0
sequence_tolerance Jan 2013 1,960 121,593 62.0 16 810.3
vip Mar 2013 1,050 9,116 8.7 5 89.5
symmetric_docking Aug 2013 2,238 213,663 95.5 31 1,071.1
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,632 20,905 7.9 22 145.0
ligand_docking Jan 2014 24,447 637,170 26.1 147 9,381.9
peptiderive May 2015 7,034 925 0.1 77 9.9
make_exemplar Sep 2015 369 31 0.1 3 3.3
tox_dock May 2016 432 467,307 1,081.7 4 5,738.7
snug_dock May 2016 4,457 2,843,878 638.1 43 2,965.4
mp_lipid_acc Aug 2016 2,190 23 0.0 7 0.8
stepwise Dec 2017 88 6,878 78.2 0 0.0
farfar2 Sep 2018 2,059 2,944,818 1,430.2 64 107,460.7
rnp_ddg Oct 2018 181 6,130 33.9 4 308.5
rna_info Jan 2020 57 0 0.0 2 0.0
renumber_pdb Jan 2020 41 0 0.0 0 0.0
rna_thread Jan 2020 25 0 0.0 1 0.0
auto_drrafter Feb 2020 9 2,817 313.0 0 169.5
cov_pep_dock Feb 2021 16 16,176 1,011.0 1 1,666.6
Total 96996 13,823,551 212.0 655 165,464.5


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):