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Open Directory - Science: Chemistry: Software: Structural
NMR Structure Calculation
Computational Chemistry: Spartan
- General purpose modelling tool that uses modern computational methods to provide quantitative data on molecular structure, energy, reactivity, selectivity and a wide range of molecular properties.
Hyleos ChemFileBrowser and ChemView
- Free Windows software for working with MDL SDF files and molfiles. Includes descriptors calculation like TPSA, molecular weight, HBd and HBa.
- Java applets for the web developer who builds chemical internet/intranet sites. The package includes an applet for editing and visualizing molecules on a web page and one for viewing molecules on a web page.
- Program for the automatic generation of constitutional isomers and combinatorial libraries, for Unix/Linux and WinNT/95. Free demo available.
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