Search Results for "molecule"

MolecularGraph.jl is a graph-based molecule modeling and chemoinformatics analysis toolkit fully implemented in Julia.

...An example of an non-algebraic objective function whose derivative is algebraic is the Kullback–Leibler divergence. Homotopy continuation methods allow us to study the conformation space of molecules as for example cyclooctane (CH₂)₈. This molecule consists of eight carbon atoms aligned in a ring, and eight hydrogen atoms, each of which is attached to one of the carbon atoms.

...It is useful to understand how your molecules fit to what you observed and can help interpret your data. What makes this application more useful than paint programs (powerpoint or inkscape) is the fact that the size of the images and of the molecule is fixed, so that you know that you are working in real space. Check https://sourceforge.net/p/spm-and-mol-viewer/wiki/Home/ for updates.

Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.

VividSTORM is a free and open-source standalone software with graphical user interface, for the correlated visualization and analysis of superresolution single molecule localization microscopy (SMLM) molecule lists and conventional pixel intensity-based images. The localization points (LPs) within this ROI can be analyzed using the selected built-in functions. NOTE: If you encounter issues not addressed by the user guide, please contact by message on this site or via e-mail for additional support: vividstorm[at]koki.mta.hu If you find our software useful in your project, please cite: Correlated confocal and super-resolution imaging by VividSTORM Nature Protocols 11, 163–183 (2016) doi:10.1038/nprot.2016.002

MoCalc2012 is a simple, efficient Graphical User Interface for MOPAC, DFTB+, GAMESS(US), Firefly, NWChem, ORCA and PSI4.

A Java program to parse chemical names using IUPAC nomenclature. The output can be either a visualisation of the molecule, or in a form for other programs to use (e.g. CML).