Here are further examples for using "Hyperactive Moleculs" in chemistry


We made the 3D-coordinates for the moleculs available in several file-formats which could be visualized by public domain software as XMOL and RASMOL or commercial software (e.g. Gaussian, Sybyl, Hyperchem, ...).


4-Sufanilic acid monohydrate C6H7NO3S*H2O
You can get the coordinates in the following formats:
PDB format or XYZ format for use with RASMOL or XMOL
Hyperchem format and MDL-MOLFILE format

C23H17N2O4
You can get the coordinates in the following formats:
PDB format or XYZ format for use with RASMOL or XMOL
Hyperchem format and MDL-MOLFILE format

Short examples for the possibilities of electronic publishing in chemistry


These examples were installed by Andreas Herrmann and Michael Haak




XMOL - X-based molecule viewer and format converter

Copyright 1990, 1991, 1992, 1993 Research Equipment, Inc. d/b/a Minnesota Supercomputer Center, Inc. All rights reserved. XMOL currently can read Alchemy, CHEMLAB-II, Gaussian input, Gaussian output, MOLSIM, MOPAC archive, MOPAC input, MOPAC output, PDB, and XYZ datafiles, and write Alchemy, CHEMLAB-II, Gaussian input, MOLSIM, MOPAC input, and XYZ-datafiles, as well as color or black-and-white Encapsulated PostScript images.



RASMOL - Molecular Graphics Visualisation Tool v2.5

AUTHOR Copyright (C) 1992-94 by Roger Sayle. All rights reserved. supported FORMATS -pdb Brookhaven Protein Databank -mdl MDL's MOL File Format -mol2 Tripos' Sybyl MOL2 Format -xyz MSC's XYZ (XMol) Format -alchemy Alchemy File Format -charmm CHARMm File Format


Zur Homepage des Arbeitskreises Kaupp (Organische Chemie I)


haak@kaupp.chemie.uni-oldenburg.de