Search Results for "output"
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Showing 6 open source projects for "output"
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ParamIT
a Toolset for Molecular Mechanical Force Field Parameterization
...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. ... -
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**(9 march 2016) this project is continued on github : http://jaapkroe.github.io/polypy ** Python script to analyze (shortest-path) rings in structures read from xyz-files. It can be useful for example to identify defects in crystal structures or molecules.
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Noisy Channel Simulator
Demonstrate errors in transmission of a file over a noisy channel.
...The program was intended to take monochrome bitmap files as input, so that each bit refers to a pixel in the image and thus, it would be easy to see errors in the output file, as some of the pixels would be flipped; however, it will work on any input file. -
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pydaqtools provides a common interface to data-acquisition hardware for Python. Control analog/digital output or acquire analog/digital input for immediate analysis with Python for scientific, educational or engineering applications.
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MIPGen
Simple Molecular Interaction Potential Generator in Python
Molecular Interaction Potential Generator MIPGEN is a python program that will calculate Molecular Interaction Potential grids over a given molecule, that could be either a protein or a small organic compound (drug). The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera... For more information on dependencies and usage, please read the Documentation. Users are welcome to post any bug or request under BUGS & REQUESTS menu. (sourceforge account will be needed). -
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A script to generate random text using Markov chains. Output text will be stylistically similar to the training text.
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