Search Results for "ab initio software" - Page 2

Project for develop force fields with using ab-initio calculations

DAWGPAWS is a suite of command line programs written in Perl that accelerates annotation of genes and transposable elements in plant genomes by automating the process of running annotation programs and facilitating combined evidence annotation curation.

Das erste Projekt mit dem RaspberryPi Model B - Ein Multifunktions Wecker. Ich habe mir dieses Projekt ausgesucht da es derzeit auf dem Markt kaum bzw keine günstigen Internet Radio Wecker zu kaufen gibt (meistens ab 80€ und aufwärts...) daher DIY

PSI is an open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models.

This software allows to analyze the contigs generated by ab initio assembly and it produce the scaffold of genome after manual curation

Ab initio gene finder. Formerly known as TIGRscan.

The aim of this project is to be a GUI front-end and visualization tools for the Vienna Ab-Initio Simulation Package, also know as VASP. VASP is density functional software which calculates a variety properties of solid state systems.

Apple1 emulator, like the Replica1, for the terminal with full cut and paste. Forked from napple1 and pom1. Tested with figFORTH and APPLESOFT BASIC. Tested and compiled on LINUX 3.0.x, OSx 10.6.x, and Windows XP/Vista/7 and it works well. A folder of sample applications is included for you to be ab le to use your "faux1" right after the install. Pre compiled Windows installer and source is available for all platforms (LINUX, POSIX, OSX, and Windows). To compile you will need...

The ab initio Spinor Project is a scientifc code project based on density functional theory (DFT) within the ab initio pseudopotential frame work. The code implements the fundamental Kohn-Sham functions in form of two-component spinors, hence allowing to

kla (KapiLandAutomat) ist ein PERL-Programm fuer die Welt 5 des Online-Spiels KapiLand (http://www.kapiland.de). Die Applikation arbeitet Skripten ab, in welchen der Benutzer ganze Produktionsketten, Verkauf, Einkauf und Vertragswesen automatisiert

Hier wird die Versionsverwaltung (SVN) für die LaTeX-Mitschrift der Vorlesung "Analysis für Informatiker und Statistiker" gehostet. Diese findet im WS 2009/2010 an der LMU München statt.

DEXA is dedicated to providing post-experiment signal processing of DiffXAS signals. By combining ab initio theory with measured spectra, structural strain parameters may be extracted from the differential signals at an intrinsic, atomic scale.

ABGraph is a simple tool to benchmark webservers. The program uses ab (apache benchmark) to actually benchmark the selected remote host. A graph in PNG format is generated with gnuplot and saved to the selected path/file.

Soft for ab initio and MD simulating of water system. Contains program for ICE: construct ice, specific monte-carlo simulation, proton rearrangement calculations; for PDB-water: calculate rotation energy profile, for Effective Fragment simulations.

FFDev is a suite of utilities for the creation (and deployment) of custom force fields (interaction potentials) for atomistic simulation, derived wholly or in part from ab initio quantum chemistry calculations.

[discontinued] A research tool for synthetic chemists - archival, presentation, molecular modelling, ab initio computation.

A basic personal toolbox including Bash scripts and C programs, requisite to other packages from the author. Not intended to be intuitive for general use.