Article View: comp.sys.mac.scitech
Article #31Re: diff equations solver?
From: Michael Whitbeck
Date: Fri, 03 Nov 1995 00:00
Date: Fri, 03 Nov 1995 00:00
46 lines
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2461 bytes
In article <47dje1$hig@studium.student.umu.se>, peterl@umdix.umdc.umu.se (Peter Lundberg) wrote: >Does anyone have experience with programs for solving differential >equations? There should be something for setting upp systems of >equations, and boundary conditions in an easy manner, maybe in some >graphical format. > >I would appreciate comments on ease of use, etc! I'm mainly interested >in Mac-programs for simulating metabolism. Perhaps Mathematica is what >I'm looking for? > >73, Peter > >O==O ================================== O==O >O==O Peter Lundberg O==O >O==O Email: peterl@umdix.umdc.umu.se O==O >O==O ============761.91141============= O==O Peter, CVODE (in C) is available at netlib@ornl.gov This is a set of routines to solve ODE's. Fortran versions exist at the same site (many other solvers as well). CVODE can handle stiff ODEs as well as non-stiff. If by metabolism you mean metabolic chemical reactions take a look at react 3.21 (free) at infomeister.osc.edu under pub chemistry software MAC (or OS2 or MSDOS). The program is compiled and ready to run. It takes chemical reactions from a text file like: 0.0102 enzyme + substrate --> complex_1 1e+5 complex_1 --> complex_2 0.3e2 * complex_2 --> enzyme + protein_a It builds the ODE's and solves using CVODE. The * above is used to flag a reaction(s) to have the rate constant(s) (e.g. 0.3e2 above) adjusted by least-squares using a set of experimental data (e.g. observed protein_a vs time data), an optional feature. Example data files are in the MAC archive. Output is suitable for Cricket, gnuplot or Igor. Memory is allocated dynamically- I've run as many as 275 reactions involving 25 species in a model. Comments may be imbedded in the reaction mechanism, names (e.g. complex_1) are arbitrary- user invented, etc. Best of all it is absolutely FREE. Mike W
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X-Google-Language: ENGLISH,ASCII-7-bit X-Google-Thread: 104d1d,5d99080fba885cef X-Google-Attributes: gid104d1d,public X-Google-Thread: fa6b6,5d99080fba885cef X-Google-Attributes: gidfa6b6,public From: whitbeck1@llnl.gov (Michael Whitbeck) Subject: Re: diff equations solver? Date: 1995/11/03 Message-ID: <whitbeck1-0311951159360001@whitbeckmac.es.llnl.gov> X-Deja-AN: 118546487 references: <47dje1$hig@studium.student.umu.se> organization: Lawrence Livermore National Laboratory newsgroups: comp.sys.mac.scitech,bionet.software