flexible-meccanoPour la version française du site, cliquer sur le lien ci-dessous: UpdateRecent updates are now available. A web protocol is now in charge of an automatic update on your computer. For bug reporting or program support, please provide a brief description of the problem at flexible-meccano@ibs.fr 9th of january 2013 / Mac version
16th of october 2012 / Linux version
4th of june 2012 / Linux version && Mac version
29th of may 2012 / Linux version
Presentation of flexible-meccanoThe program was originally developed to generate ensembles of realistic atomic models that are compatible with biophysical data measured using NMR and SAXS. flexible-meccano randomly samples amino-acid-specific backbone dihedral angle φ/ψ propensities derived from non-secondary structural elements of high-resolution X-ray crystallographic structures,and thereby assembles a conformational ensemble from which experimental values can be calculated. Amino-acid specific hard-sphere steric clashes are used to provide a physically reasonable model of repulsive interatomic forces, and no attractive forces are explicitly used. The simplicity of the model allows for highly efficient structure ensemble assembly (100,000 structures of a 100 amino acid protein can be created in 30 minutes on a single processor). It has now been entirely rewritten, updated and interfaced to include the following NMR calculations:
Documentation, MoviesTwo short movies presenting the main functionalities are available :
The program is delivered with example protocols and data and is fully documented. It has been compiled for the following platforms :
Contact : flexible-meccano at ibs.fr The license is free for academic sites and non commercial use.
ReferencesIf any results obtained with the flexible-meccano program are published, whatever the means of publication, particularly in the scientific literature, the program should be referenced in the following way: Flexible-meccano: a tool for the generation of explicit ensemble descriptions of intrinsically disordered proteins and their associated experimental observables, Valery Ozenne; Frederic Bauer; Loic Salmon; Jie-rong Huang; Malene Ringkjobing Jensen; Stephane Segard; Pau Bernado; Celine Charavay; Martin Blackledge, Bioinformatics 2012 28: 1463-1470 DownloadBefore downloading the software, you must read the license.
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