Search Results for "graphical programs"

ParamIT is a toolkit aiding the development of molecular mechanical force field parameterization of small, drag like, molecules within CHARMM general force field (CGenFF) protocol. The developed toolkit helps the researchers in following ways: 1) automating the creation of multiple input files for quantum and molecular mechanics programs, 2) automating the output analysis and 3) substitute the use of full MM programs with a faster specialized one. The developed tools include: 1) generator of molecule-water complexes with graphical user interface (GUI), 2) semi-automatic frequency analysis using symbolic potential energy distribution matrix and comparison of optimized internal coordinates, 3) GUI for charge fitting with three modes: manual, Monte-Carlo sampling or brute force, and 4) GUI for dihedral terms fitting. ...

ART is a flexible simulation framework for wind instruments. It includes a growing library of modelling elements. So far bore discontinuities, branches, tone holes, cylindrical and conical tubes, Bessel horns and bent tubes are available for frequency domain modelling. In the time domain generic bidirectional propagation elements, scattering elements, fractional delays, convolution with reflection functions and general z-domain networks are available and can be described using MuParserX...

rmachine is a register machine simulator (the complexity theory version), programmed in python, complete with a module to be used in your programs and a (PyQt4) GUI.