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Bug#295078: RFP: stochastirator -- an accelerated discrete reaction event simulator



Package: wnpp
Severity: wishlist

* Package name    : stochastirator
  Version         : 0.0.1
  Upstream Author : Eric Lyons
* URL             : http://opnsrcbio.molsci.org/stochastirator/
* License         : GPL
  Description     : an accelerated discrete reaction event simulator

The Stochastirator represents the time-dependent behavior of biochemical
reaction networks in accordance with stochastic chemical kinetics.
Briefly, for a user-specified reaction netwrok, the program works by,

   1.      computing the "next time" each reaction will execute based on
the unique number of substrate molecules (or combinations) and reaction
propensity.
   2.      sorting the "next (reaction) time(s)" to determine which
reaction next occurs.
   3.      executing the next reaction, thereby advancing the simulation
time and updating the number of products and substrates involved in the
reaction.
   4.      computing a new "next time" for the executed reaction and
reactions whose number of substrate species (or combinations) were
changed by the just executed reaction.
   5.      repeating steps 2-4 until the end time of the simulation is
reached 

The next reaction time, t, is computed using the First Reaction Method
developed by Gillespie in 1976.

t=(1/a)ln(1/r)

where,

"a" is the reaction "propensity" (the product of the reaction "rate" and
the number of unique reactant combinations), "r" is a random number
drawn from a uniform distribution in the unit interval. 

-- System Information:
Debian Release: 3.1
  APT prefers unstable
  APT policy: (500, 'unstable'), (500, 'testing')
Architecture: i386 (i686)
Kernel: Linux 2.6.8-1-686
Locale: LANG=it_IT@euro, LC_CTYPE=it_IT@euro (charmap=ISO-8859-15)

-- 
Luca Brivio

Web:		http://icebrook.altervista.org
Jabber:		lucab83@jabber.org

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"Homo sum: humani nil a me alienum puto" (P. Terentius Afer)
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