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Gochem is an open source (LGPL2.1) library for chemistry, with some emphasis on computational biochemistry, written in the Go programing language. See the README file in the Github repository for an account of its current capabilities. Gochem development started at the Laboratory for instruction in Swedish, Department of Chemistry, University of Helsinki, Finland. It is currently developed at [Prof. Ochsenfeld's Theoretical Chemistry group] (http://www.cup.uni-muenchen.de/pc/ochsenfeld/), Ludwig Maximilan University, Munich, Germany.
The developer is Dr. Raúl Mera Adasme.
Gochem contains contributions from Prof. Verónica Jimenez C. (Universidad de Concepción, Chile) and Doc. Janne Pesonen. It has been developed under Doc. Pesonen's and Prof. Dage Sundholm's advice.
The developer dedicates his effort to the long life of the Ven. Khenpo Phuntzok Tenzin Rinpoche.
#Installation. After you have installed the Go toolchain and set up the environment variables (instructions here), you can install gochem by simply typing the following on a terminal:
go get github.com/rmera/gochem
Notice that you also need to have git and mercurial installed on your machine (mercurial is required by the Plotinum library).
#Documentation The User's guide is a work in progress, but it already contains some explanations and examples.
The types, functions, etc. of gochem can be found in the corresponding GoDoc page:
Some simple programs are provided, with an explanation, to illustrate the usage of gochem.
Analysis on the moment of inertia tensor of a molecule.
Geometry manipulation and QM-calculations input building.
#Disclaimer
Copyright 2012 Raúl Mera Adasme.
The code in this wiki, is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.
The code in this wiki is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
See http://www.gnu.org/licenses/ for more information.