MULTISUB

Version 1b, May 2005

(Name of previous version was MONTESUB)

J. García de la Torre, H.E. Pérez Sánchez, A. Ortega, J.G. Hernández, M.X. Fernandes, F.G. Díaz and M.C. López Martínez, "Calculation of the solution properties of flexible macromolecules: methods and applications" Eur. Biophys. J. 32, 477-486 (2003).

MULTISUB is an ancillary program for the calculation of solution properties, using HYDROSUB, of multiple conformations of a model composed by ellipsoids, cylinders and beads. It is provided as a template of FORTRAN source code in which the user will insert the pieces of code specific of the model under study. Thus, MULTISUB produced all the data files needed to calculate all the conformations in a single execution of HYDROSUB, which will provide the properties of each of them in a form that is convenient for further analysis (optimization, in the case of conformational search of a rigid structure, or averaging, in the case of multi Carlo calculation for a flexible model).

For more details, see the MULTISUB User Guide

Files for download:

IMPORTANT: The main data file name should be multisub-dat.txt. Therefore, to execute these examples, files multisub_1b-dat-brodumb.txt and multisub_1b-dat-dimer.txt should be renamed to multisub-dat.txt

FILE TYPE DESCRIPTION
multisubpaper.pdf PDF Paper on multiSUB
multisub_1b.pdf PDF User Guide
multisub_1b-template.for FORTRAN FORTRAN
multisub_1b-brodum.for FORTRAN Example 1: "The broken dumbbell"
multisub_1b-dimer.for FORTRAN Example2: "The linked dimer"
multisub_1b-dat-brodum.txt ASCII multisub_1b-dat.txt file for Example 1
multisub_1b-dat-dimer.txt ASCII multisub_1b-dat.txt file for Example 2
dimerdata.txt ASCII Specific data file used in example 2
hydrosub-brodum.dat ASCII hydrosub.dat file for HYDROSUB, from example 1
hydrosub-dimer.dat ASCII hydrosub.dat file for HYDROSUB, from example 2
brodu001.txt ASCII One of the structural data files for HYDROSUB, from example 1
dimer001.txt ASCII One of the structural data files for HYDROSUB, from example 2

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