Search Results for "file structure"
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Showing 53 open source projects for "file structure"
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iCn3D
Web-based protein structure viewer and analysis tool
..." button. View a 3D structure in iCn3D, input a PDB ID, and click "Load". You can also click the "File" menu to "Open File" or input other IDs. You can open a browser in your Virtual Reality (VR) headset and view a 3D structure in iCn3D. Then click the button "Enter VR" at the bottom center of your browser to enter the VR view. You can select residues with the trigger button. -
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Basic features: 1. Generate KPOINTS, POTCAR and INCAR for a given POSCAR file; 2. Elastic-constants using stress-strain or energy-strain methods; 3. Equation-of-state fitting; 4. Suggested k-paths for a given crystal structure; 5. Optical adsorption coefficient; 6. Band structure unfolding; 7. Fermi surface; 8. Density-of-states and band-structure; 9. Charge/spin density, Charge density difference; 10. Vacuum level and work function; 11. Wave-function analysis; 12. Molecular...
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Jmol
An interactive viewer for three-dimensional chemical structures.
Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other... -
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OSRA is a utility designed to convert graphical representations of chemical structures and reactions, as they appear in journal articles, patent documents, textbooks, trade magazines etc., into SMILES or SD file format- a computer recognizable molecular structure You can find links to the binary executables here: https://sourceforge.net/p/osra/wiki/Download/
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JSmol
JavaScript-Based Molecular Viewer From Jmol
JSmol is the extension of the Java-based molecular visualization applet Jmol (jmol.sourceforge.net) as an HTML5 JavaScript-only web app. It can be used in conjunction with the Java applet to provide an alternative to Java when the platform does not support that (iPhone/iPad) or does not support applets (Android). Used in conjunction with the Jmol JavaScript Object (http://wiki.jmol.org/index.php/Jmol_Javascript_Object), JSmol seamlessly offers alternatives to Java on these non-Applet... -
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DEVS-Suite Simulator
Component, CA, and CCA models; superdense time, DB repo, testing, etc.
...) with domain-specific models: NoC; SW/HW co-design, Service-Oriented Computing, cancer biology, Dynamic Structure, SOA DEVS, MIPS32 processors, and computer networks for education. Version: 7.0 [Jan `23], 6.1 [Apr. `21], 6 [Sep. `20] , 5 [Jul. `19], 4 [Mar. `18], 3 [Apr. `15], 2.1 [Feb. `09], 2 [`03] See CoSMoSim: https://acims.asu.edu/software/cosmos : hierarchical visual modeling, database model repository, families of models, statecharts, partial-code generation for XML/DEVS-Suite model -
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DAE Tools Project
Object-oriented equation-based modelling and optimisation software
DAE Tools is a cross-platform equation-based object-oriented modelling, simulation and optimisation software. It is not a modelling language nor a collection of numerical libraries but rather a higher level structure – an architectural design of interdependent software components providing an API for: - Model development/specification - Activities on developed models, such as simulation, optimisation, sensitivity analysis and parameter estimation - Processing of the results... -
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SPINA
Structure parameter inference approach for endocrine feedback control
SPINA is software for determining constant structure parameters of endocrine feedback control systems from hormone levels obtained in vivo. The first version of this cybernetic approach allows for evaluating the functional status of the thyroid gland, i.e. thyroid's secretory capacity (GT or SPINA-GT) and sum activity of peripheral deiodinases (GD or SPINA-GD). A second version has been developed for insulin-glucose homeostasis. It delivers the secretory capacity of pancreatic beta cells... -
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Scaffold Hunter is a JAVA-based software tool for the analysis of structure-related biochemical data. It enables generation of and navigation in a scaffold tree hierarchy annotated with various data.
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EDAUtils Converters
Free converters across IP-XACT Verilog VHDL Liberty SystemC
... verilog2lib : Create Liberty .lib library from verilog module lib2verilog : Converts Liberty .lib Cells into empty verilog modules verilog2systemc : Tool to convert Verilog into SystemC keeping the original structure as much as possible. ipxactreg2xlsreg : Converts IP-XACT Address Block file into XLSX for review and documentation purpose xls2ipxact : Creates IP-XACT Address Block file from the legacy XLS/CSV based Register Management system. -
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StatisticsTables
This is a Java APP for Probability and Statistics Tables
If you have Windows or a MAC , you can setup and run Statistics Tables with very little effort. You can use jdistabs in place of paper Probability Tables to get electronic probabilities. You can also download the Java code used to create this APP. There are 2 zips. One is for a working windows APP, and the other with complete code and file structure. I used Eclipse to develop the APP. Click the link you want to download to get the Statistics Tables Windows.exe or OS X zipped files... -
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fas2svg
Visualize genetic code structure from fasta file.
Generate svg file from fasta file. -
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Sensitizer
A toolset to automate STOP analysis with Zemax OpticStudio
.... The core data structure of SENSITIZER is an optical group, which can be any optical surface in the lens file or a set of subsequent surfaces. These groups will be perturbed by varying their positions relative to the rest of the system (rigid-body-motions) and/or by adding Zernike shape deformations on their front surface. After a certain perturbation is applied, ZOS runs (sequential) raytracing to compute the optical performance such as centroid displacement or wavefront error. -
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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... -
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SparesPOP is a MATLAB implementation of a sparse semidefinite programming (SDP) relaxation method proposed for polynomial optimization problems (POPs). Please send a message to kojima-spop@is.titech.ac.jp if you have any question and/or request. We also release SparsePOPC++ and SparsePOPC++-windows. Both implementations are SparsePOP which does not use MATLAB, but only C++. In particular, SparsePOPC++-windows contains a binary file which works on Windows, and does not require to compile.
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PRay
GUI for rayinvr modelling
PRay stands for 'Plot Rayinvr' and is a graphical user interface for the ray-tracing software rayinvr (Zelt & Smith, 1992). In principle it can also be used as viewer for seismic traveltime data from other software like tomo2D. Zelt, C. A. and Smith, R. B., 1992, Seismic traveltime inversion for 2-D crustal velocity structure, Geophysical Journal International, 108(1), 16--34, 10.1111/j.1365-246X.1992.tb00836.x SYSTEM/USER REQUIREMENTS: - Linux/Mac OS X - You do need to be familiar... -
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Lightweight Model Database
An easy to use and lightweight CAD model data management tool.
This little Tool was developed in order to tidy up the CAD models and other documents in my 3D printing project folder. Full description and Manual, see: http://encorecad.de/index.php/3d-druck/lightweight-model-database-en -
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SoAx
Structure of Arrays of multiple types
...; double[3] pos; float[3] vel;};) in the context of high-performance numerical simulations. It can be applied to many other problems. Please check the sample file main.cpp to see examples of code that you can write with SoAx. -
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HermeneutiX
Your graphical tool for Syntactic/Semantic Structure Analysis of texts
HermeneutiX is a tool for diagramming syntactic and semantic structures of complex (not necessarily foreign-language) texts (e.g. bible or other historical excerpts). HermeneutiX is now part of SciToS (the scientific tool set). Starting with version 2.0.0, HermeneutiX can be found on GitHub. Please check out the release summary: https://github.com/scientific-tool-set/scitos/releases For an introduction, check out this video: https://youtu.be/uQjewyG0Ad8 PS: To run a Java... -
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GenCodeGenerator
C++ class to generate biologically plausible genetic codes
... genetic codes, with the reqirement of block structure, and, optionally, with the assumption of stereochemical or biosynthetic models (to impose the assumption of the adaptive model, simply filter the codes using the error_cost() function). See Appendix in Makukov & shCherbak (2017) for the description of the algorithm. The code requires Qt 5. To compile the provided example, run 'qmake' to produce the Makefile, and then run 'make' to compile the executable file. License: Public Domain. -
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In silico fragmentation evaluation
Comparative analysis of open source in silico fragmentation tools
We compared the performance of four publicly available in silico fragmentation tools that help in structure elucidation of metabolites (MetFrag, CFM-ID, MAGMa+ and MS-FINDER). Using the output of these tools we developed a voting/consensus model which is combining, re-ordering and re-ranking the candidates file and increases the correct hit percentage. We used 520 compounds from the 2016 CASMI challenge with 312 compounds for training and 208 compounds for validation purposes. -
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yb Medical Dictionary User Customizable
java8 based yb (creator's name) medical mini dictionary with text file
As a medical blogger, I felt that there is a need for platform-independent medical dictionary. Hence 'java 8'. The dictionary must be customizable ie. user should be able to add, delete words. Hence, the use of text file for medical data, instead of xml or some database or sql or some hard-to-understand things. Java 8 can be invoked even from usb pen drives. We have used only one .java file which contains the main class. Compiling it yielded only two classes. Thus simplicity... -
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G4LTL-ST
Generating PLC programs from formal specifications
G4LTL-ST is a standalone tool and a Java library for automatically generating industrial control software (supporting IEC-61131-3 Structure Text) from LTL or extended logic specifications. See Tutorial.txt inside the package for step-by-step instructions. For technical demails, see CAV'14 paper "G4LTL-ST: Automatic Generation of PLC Programs". The old version (G4LTL; under BSD license) is available under file\arxiv. -
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Visualization of Protein-Ligand Graphs
Compute protein graphs. Moved to https://github.com/MolBIFFM/PTGLtools
NOTE: Project moved to https://github.com/MolBIFFM/PTGLtools. The Visualization of Protein-Ligand Graphs (VPLG) software package computes and visualizes protein graphs. It works on the super-secondary structure level and uses the atom coordinates from PDB files and the SSE assignments of the DSSP algorithm. VPLG is command line software. If you do not like typing commands, try our PTGL web server: http://ptgl.uni-frankfurt.de/ -
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Asterix
Asterix is command line parser and Wireshark plugin for ASTERIX
Asterix is command line utility and Wireshark plugin used for reading and parsing of Eurocontrol ASTERIX protocol data from stdin, file or network multicast stream. ASTERIX stands for All Purpose STructured Eurocontrol SuRveillance Information EXchange. It is an ATM Surveillance Data Binary Messaging Format which allows transmission of harmonised information between any surveillance and automation system. ASTERIX defines the structure of the data to be exchanged over a communication medium...