Search Results for "output" - Page 2
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Showing 92 open source projects for "output"
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CIF2Cell
Generating cells for electronic structure calculations from CIF files
CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published in Computer Physics Communications 182 (2011) 1183–1186. ... -
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Construct2D
COmputational fluid dyNamics STRUctured grid CreaTor for 2D airfoils
Construct2D is a grid generator designed to create 2D grids for CFD computations on airfoils. The grids are generated in Plot3D format. The only required input file is the set of coordinates defining the airfoil geometry, using the same format as XFoil, the popular vortex-panel code for airfoil analysis. Construct2D can create grids with O topology (recommended for airfoils with a blunt trailing edge) or C topology (recommended for airfoils with a sharp trailing edge). Now available in... -
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Gnuplot Editor
Interactive gnuplot script editor
...The gnuplot editor generates a preview of the plot for every change you make and quickly allows to show the created image file with a simple keystroke. Lines with errors are highlighted in the code and gnuplot output is shown in a separate widget. In addition it features all basic editor options, syntax highlighting and menu macros for often used gnuplot options. The program is written in python (works with 2 and 3) with a Qt4 user interface, which makes it platform independent (tested in Linux, OS X 10.7 and Windows XP). You must have gnuplot installed to run this program. ... -
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converts a SAM file to fasta file. SAM file is a file output from bwa alignment software. It outputs aligned fasta file.
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dxf2pcb
Convert DXF drawings of circuit boards to gEDA-PCB files.
This Python script reads in a DXF (ascii) file and generates a PCB output compatible with PCB Designer, part of the gEDA suite. It is designed for two purposes: One is to generate a PCB snippet from a mechanical drawing (such as a board outline), the other is to produce element files from CAD drawings. PCB snippets are easily imported into an existing gEDA-PCB project using File -> Load Layout to Buffer. -
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LGTmate
Lateral Gene Transfer utility
LGTmate is a simple and powerful bioinformatic software tool to identify lateral gene transfer events and contaminants in Eukaryotic proteomes. It is available as a GUI or command-line application, with no dependencies and no installation required. -
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
PLEASE NOTE ORBKIT HAS BEEN MOVED TO https://github.com/orbkit/orbkit orbkit is a parallel Python program package for post-processing wave function data extracted from output files of MOLPRO (Molden File Format), TURBOMOLE (AOMix file format), GAMESS-US, PROAIMS/AIMPAC (wfn/wfx file format), and Gaussian (Output File and Formatted Checkpoint File) output files. Futhermore, an interface to cclib, a parser for quantum chemical logfiles, is provided. If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. ... -
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Pyclamp
A Python package used to extract and analyse electrophysiological data
...Presently, Pyclamp is designed to perform very specific forms of analysis on evoked synaptic responses: Data analysis (under development) : This is a highly user-interactive en-vironment that can be used to discriminate synaptic events, obtain various measures of their kinetics and size, and output the results. Quantal analysis : This part of the package performs simple variance-mean analysis and Bayesian quantal analysis to estimate the quantal sizea dn number of release sites among other measures. -
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ProtPOS
Prediction of PROTtein Preferred Orientation on a Surface
ProtPOS is a self-contained, lightweight, and easy-to-use software package for predicting the preferred orientation of protein on a given surface upon initial adsorption. It searches quickly for the low energy protein poses in all translational and rotational degrees of freedom of the protein with respect to the surface using particle swarm optimization. Each successful run returns the lowest energy orientation of the protein on the surface in PDB format, which is readily used for MD... -
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Yet Another Audio Feature Extractor is a toolbox for audio analysis. Easy to use and efficient at extracting a large number of audio features simultaneously. WAV and MP3 files supported, or embedding in C++, Python or Matlab applications.
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Hydraulic(fluid power) programs
Python programs for various hydraulic(fluid power) calculations
General hydraulic calculations. Cylinder selection and calculations. Multiple cylinder sequencing with graph output. Tubing selection and calculations. Viscosity graphing for various oils. DC Valve flow vs. pressure drop calculations. -
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Python Control Systems Library
Feedback control system analysis and design
The Python Control Systems Library, python-control, is a python module that implements basic operations for analysis and design of feedback control systems. This homepage for this project is at http://python-control.org and the code base in maintained at https://github.com/python-control/python-control. Information on this page is out of date, but left here for posterity. -
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PyLogAnalyser
A Python multiplatform tool to filter, colorise and analyse logs
PyLogAnalyzer is a tool that receives an input log in black and white, a configuration INI file, which contains the list of rules to process the input, and an output file where to save the results. These rules permit to detect an input line according to a regular expression (regex) or line number range, filter it, pass it, colorise in foreground and background, columnise the groups of the regex and enable or disable the rule. The final goal of this tool is to ameliorate reading long and difficult b/w logs, speed up the analysis and enhance day to day wearying activities. ... -
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Virus QSP Modeling
C++ and Python code for simulating RNA virus replication
...Models genotypes, virus populations, and quasispecies cloud. Simulates replication error and copy-choice recombination. Various parameters guiding the model are user-specified. Python code post-processes simulation output to produce report files. -
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Alfanous
Quran Search Engine
Alfanous (The Lantern - الفانوس ) is an Arabic search engine API provide the simple and advanced search in the Holy Quran , more features and many interfaces... -
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binana
BINANA (BINding ANAlyzer) is a python-implemented algorithm for analyz
...As input, BINANA accepts receptor and ligand files in the PDBQT format. PDBQT files can be generated from the more common PDB file format using the free converter provided with AutoDockTools. As output, BINANA describes ligand binding. NOTE: The latest version of BINANA is now hosted at http://git.durrantlab.com/jdurrant/binana . Versions on SourceForge are not up to date. -
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...For examples of these outputfiles check the screenshots. ADOMA uses ClustalW to create the multiple alignment from DNA or protein sequences and displays them slightly different than the normal output of ClustalW. ADOMA is a commandline program that can easily be used in pipelines. For more information check the README.md in the Files section. How to cite ADOMA: Zaal, D. and Nota, B. (2016), ADOMA: A Command Line Tool to Modify ClustalW Multiple Alignment Output. Mol. Inf., 35: 42–44. doi: 10.1002/minf.201500083 http://onlinelibrary.wiley.com/doi/10.1002/minf.201500083/abstract
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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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irit_diff_sequences
Python tool to create lifespan sequences from Wikipedia edits history
...The tool is first developed for the Wikipedia edits history but can easily be adapted for others applications. From a database containing for each article its list of revisions, produce one csv file per article containing authored sequences and lifespans. Output format: i,j,lifespan,author with - i : begining of the chars sequence - j : end of the chars sequence - lifespan : number of edits the sequence has survives until the lattest revision - author : author id of the sequence. -
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ccwatcher
A computational chemistry monitoring, parsing and plotting application
ccwatcher monitors the progress of computational chemistry calculations during runtime. It has both a GUI and a "Command Line Interface" to which it parses important output and plots SCF energies. -
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...Please use the flowing pages for up-to-date information about cclib: Repository (source code, tracker) - https://github.com/cclib/cclib Online documentation - http://cclib.github.io/ cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. It currently parses output files from ADF, Firefly, GAMESS, GAMESS-UK, Gaussian, Jaguar and ORCA.
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SAMoCAD
Simple CAD program
SAMoCAD - its program to create simple drawings, partially supports DXF. Main features: - create simple objects (line, arc, circle) - create complex objects (text, dimensions) - edit drawn objects - save drawing to SVG format - output drawing in PostScript format - export/import content DXF files (primitives LINE, CIRCLE, ARC, TEXT, DIMENSION) Program written in Python 2 and use the library Tkinter. Program requires no installation, but you need install Python 2.7 or later on your PC. Run file SAMoCAD.pyw to run the program. Its very old version of program!!! ... -
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WebChemViewer
A simple program for sharing molecular structures with associated data
Sharing lists of molecular structures with associated chemical properties is a common task in computer-aided drug design and medicinal chemistry. WebChem Viewer is a simple, free, open-source program that generates HTML-formatted output that can be viewed in any modern web browser, on any operating system (including mobile), without requiring the installation of additional software. The output can also be easily incorporated into existing web pages. WebChem Viewer is released under the FreeBSD license. It was created by Jacob Durrant, a post-doc in the lab of Rommie E. ... -
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Russian morphology tagger. Parses text(s) and output xml representation of text(s) with grammatical annotation.
