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Institut de minéralogie, de physique des matériaux et de cosmochimie
UMR 7590 - Sorbonne Université/CNRS/IRD/MNHN

Tools

Quantum Espresso

http://www.quantum-espresso.org/

 

TurboRVB

http://people.sissa.it/~sorella/web/

Software for analysing transmission electron microscope images and density maps of macromolecular complexes based on normal mode analysis. Author S. Jonic (For details please see http://www-ext.impmc.upmc.fr/~jonic/)

 

SEGHCA

Division of a protein sequence into foldable domains.

Authors:  G. Faure, I. Callebaut

   

TREMOLOHCA

analysis of the domain architecture and hydrophobic conservation in similarity searches.

Authors:  G. Faure, I. Callebaut

 

TEF 2.0

division of a protein structure into optimal closed loops

http://www.stratmann.fr/software/tef/

Web-server: http://bioserv.rpbs.univ-paris-diderot.fr/

Authors : D. Stratmann, J.S. Pathmanathan, J. Chomilier

 

CS-HADDOCK

Quantitative use of chemical shifts for the modeling of protein complexes

https://www.wenmr.eu/wenmr/CS-HADDOCK

Authors : D. Stratmann, R. Boelens, A.M.J.J. Bonvin

 

NOEnet

Use of NOE networks for NMR resonance assignment of proteins with known 3D structure

http://www.icsn.cnrs-gif.fr/download/nmr

Authors : D. Stratmann, E. Guittet, C. v. Heijenoort

 

RPBS

Softwares available on the RPBS server (Web interface)

http://bioserv.rpbs.univ-paris-diderot.fr/

 

MIR

Most Interacting Residues, Monte Carlo prediction of core hydrophobic amino acids.

Web server: http://mobyle.rpbs.univ-paris-diderot.fr

Authors : J. Chomilier

 

SPROUTS

Free energy variations upon mutations

Web server: http://sprouts.rpbs.univ-paris-diderot.fr

Authors : J. Chomilier, M. Lonquety

 

PIVclustering

Structural cluster analysis of atomic structures (from databases or simulations, e.g., MD trajectories). Target systems include crystals, amorphous materials, liquids, solutions, and isolated clusters. The distance metric is based on Permutation Invariant Vectors (PIV) (J.Chem.Phys. 139, 074101 (2013)) or SPRINT topological coordinates (Phys.Rev.Lett. 107, 085504 (2011)). Documentation and download: http://sourceforge.net/projects/pivclustering

Authors: G.A. Gallet, F. Pietrucci

22/12/17

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