Data Processing Center

This is a program to handle numerical data. Among its features you'll find:

    - Ordinary spreadsheet functions: graphs, regressions, transforms, in-sheet formula, statistic analysis, autofilling, etc.

    - Advanced commands, like matrix transposition, numerical derivation and integration, secant calculation, Lagrange interpolation, 4th Order Runge Kutta for one or two equations, and lots more.

    - Two Artificial Neural Networks (a Back-Propagation of Errors ANN and a Kohonen Self-Organising Features Map)

    - Chemists-directed functions for inserting molecular weights and universal constants; plus other chemists-directed tools (see below)

    - Tools for creating connection tables from PDB files, for creating autocorrelation vectors, for coding structures with 3D-MoRSE code (both in conformation-dependent or conformation-independent way), and for analysing molecular surfaces produced by VEGA

    - A set of wizards ("helpers") that can do many things for you, like:
        - Analysing enzyme kinetics
        - Fitting and simulating circular dichroism spectra of proteins
        - Calculating kinetic and thermodinamic parameters
        - Simulating bioreactors

Through-space Radial Distribution Function of atomic electronegativities for ampicillin, calculated and graphed using DPC

Results of training a DPC's Kohonen NN with thirty-four 500-dimensional spectra

Projection of the electronegativity of atoms weighed by its distance to each point of the molecular surface for ampicillin, performed using the Kohonen NN of DPC (the map is tilted 4 times)