TreePack 1.2 – Side Chain Assignment via Tree Decomposition

TreePack 1.2

:: DESCRIPTION

The TreePack program uses a tree-decomposition based algorithm to solve the side-chain packing problem more efficiently. This algorithm is more efficient than SCWRL 3.0 while maintaining the same level of accuracy.

::DEVELOPER

Jinbo XuBonnie Berger

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux

:: DOWNLOAD

 TreePack

:: MORE INFORMATION

Citation:

Jinbo Xu and Bonnie Berger.
Fast and accurate algorithms for protein side-chain packing.
The Journal of the ACM, Volume 53, Issue 4 (July 2006), pp. 533-557.

GeoAssign 0.4.1 – Assignment of Origin using Genetic, Phenotypic and Geographic information

GeoAssign 0.4.1

:: DESCRIPTION

GeoAssign is a Web based program assigns test individuals according to their genotypes or metric traits to groups (e.g. country of origin, population of origin) which are defined by reference individuals. Thus, the user needs to upload one data file for the test individuals (“Test file”) and one data file for the reference individuals (“Reference file”). The assignment is done using a nearest neighbour approach.

::DEVELOPER

Bernd Degen

:: SCREENSHOTS

N/a

:: REQUIREMENTS

  • Web browser

:: DOWNLOAD

NO

:: MORE INFORMATION

Citation

Degen B, Blanc-Jolivet C, Stierand K, Gillet E.
A nearest neighbour approach by genetic distance to the assignment of individual trees to geographic origin.
Forensic Sci Int Genet. 2017 Mar;27:132-141. doi: 10.1016/j.fsigen.2016.12.011. Epub 2016 Dec 29. PMID: 28073087.

MIMA v1.0 – Automation of the MS to IMS Peak Assignment

MIMA v1.0

:: DESCRIPTION

MIMA is a method for the alignment of GC/MS data and MCC/IMS data facilitating the identification of biomarker molecules.

::DEVELOPER

Baumbach lab

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux / Windows / MacOsX
  • Java

:: DOWNLOAD

MIMA

:: MORE INFORMATION

Citation

Maurer F, Hauschild AC, Eisinger K, Baumbach J, Mayor A, Baumbach JI (2014).
MIMA – A software for analyte identification in MCC/IMS chromatograms by mapping accompanying GC/MS measurements.
Int. J. Ion Mobil. Spec. Volume 17, Issue 2, pp 95-101.

EMPANADA – Evidence-based Assignment of Genes to Pathways in Metagenomic data

EMPANADA

:: DESCRIPTION

EMPANADA is a tool for evidence-based, non-uniform, and sample-specific assignment of gene families to pathways in metagenomic data.

::DEVELOPER

the Borenstein Lab

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / Windows /MacOsX
  • Python

:: DOWNLOAD

EMPANADA

:: MORE INFORMATION

 

MBA – Inferential Assignment of Protein Backbone Nuclear Magnetic Resonances

MBA

:: DESCRIPTION

MBA ,Model-Based Assignment, is a Java program for automated assignment and assessment of uncertainty of protein backbone NMR. It is based on a statistical model for NMR spectra, and employs a tree-based algorithm of stochastic optimization.

::DEVELOPER

Laboratory for Statistical Proteomics and Bioinformatics , Purdue University

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux/ MacOsX/ Windows
  • Java

:: DOWNLOAD

 MBA

:: MORE INFORMATION

Citation

O. Vitek, J. Vitek, B. A. Craig, C. Bailey-Kellogg.
Model-based assignment and inference of protein backbone nuclear magnetic resonances
Statistical Applications in Genetics and Molecular Biology, 3: Article 6, 2004.

MUDE 1.0 – Assess MS/MS Spectra Assignments

MUDE 1.0

:: DESCRIPTION

mude (multivariate decoy database analysis) is a set of programs implementing the framework to assess MS/MS spectra assignments

:: DEVELOPER

By Cerqueira, Fabio (fabio.cerqueira@ufv.br); Graber, Armin; Schwikowski, Benno; Baumgartner, Christian.

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Windows/ Linux / MacOsX
  • JAVA

:: DOWNLOAD

 MUDE

:: MORE INFORMATION

Citation

MUDE: a new approach for optimizing sensitivity in the target-decoy search strategy for large-scale peptide/protein identification.
Cerqueira FR, Graber A, Schwikowski B, Baumgartner C.
J Proteome Res. 2010 May 7;9(5):2265-77. doi: 10.1021/pr901023v.