Black and Green Rocking Chair

ROCKER

Easy ROC AUC analysis and visualization

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About ROCKER

ROCKER enables the user to automatically generate high-quality ROC AUC images for publications. Image generation in ROCKER comes with many options, such as ​logarithmic vs. normal scale X-axis, calculation of AUC values with errors, etc.


If yo​u​ are interested in obtaining Rocker for simple ROC AUC plotting and calculations, you can go to the download page by pressing the download button. NOTE! The dow​nlo​ad site is currently unavailable, but will be available shortly!

LICENCE

Note that Rocker is published under MIT license.

CITING

If you publish figures and/or results from calculations, please, make sure you include the following reference:

CONTACT

Questions? Check out FAQ.

You can also contact us via e-mail with any questions you have: olli@medchem.fi

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Support

Frequently asked questions


Q1. Could you explain the reverse score option given in the webpage ROCKER?


A1. This refers to the numerical values given by your scoring/fittness function. Classical data for ligand binding energies (delta G/H) give values where ​more negative one is better (e.g. delta G -7.5kcal/mol is better than -6 kcal/mol) - such scoring is considered reverse. Many software tools give ​estimations for ligand fitness to the binding site, where the higher number is better.



Questions can be sent to e-mail: olli@medchem.fi

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Examples

Here are six examples (same as in publication)

Note that the figures are prepared here with Mac-installation instead of RHEL7-Linux that was used in the manuscript.

Example files, are available here:dude.txt, 2.txt, 3.txt, and 5.txt

A

rocker dude.txt -an CHEMBL -c 5 -s 5 5 -p

B

rocker dude.txt -an CHEMBL -c 5 -s 5 5 -lp 0.001 -p

C

rocker 2.txt 3.txt 5.txt -an CHEMBL -s 5 5 -li data1 data2 data3 random -l 0 -lp 0.001 -cl maroon teal cyan -p

D

rocker 2.txt 3.txt 5.txt -an CHEMBL -s 5 5 -li data1 data2 data3 random -l 0 -lp 0.001 -cl maroon teal cyan -st dotted dashed solid -la FalsePositive TruePositive -las 15 -ts 15 -p

E

rocker dude.txt -an CHEMBL -s 5 5 -c 5 -li mydata random -l 4 -les 15 -cl red -lw 4 -la FalsePositive TruePositive -las 15 -ts 15 -aw 2 -f "Liberation Serif" -p

F

rocker dude.txt -an CHEMBL -s 5 5 -c 5 -li mydata random -l 4 -les 15 -cl red -lw 4 -la FalsePositive TruePositive -las 15 -ts 15 -aw 2 -f "Liberation Serif" -no -a '\-0.08,\-0.05,0.0' -as 15 -kw "legend:{frameon:False}" -EFd 1 -EF 1 -BR 20 -p


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“You know Elvis is not dead but sits back in his rocking chair, a.k.a. Rocker”

Originally published by Computational Bioscience Laboratory

Department of Biological and Environmental Science

University of Jyväskylä

Finland