| Alternative way with Chemis3D Java applet | |||
Alternative way for viewing the pharmaceutical structrures has been provide by loading of Java applet Chemis3D 1.9.4. You will see all the optimized structures of pharmaceuticals without installation of the plug-in. For all pharmaceuticals, the conformational distribution obtained at 300K under vaccum has been stored in the database. This datum can be downloaded as the zip-compressed sd file (this is a multistructure file containing a number of conformers described with MDLmol file format.). In the similar manner, the electrostatic potential mapped on the electron density surface has been compiled as the zip-compressed VRMLfile. You will see them with the Cosmoplayer plug-in viewing the VRML files. We hope you enjoy the 3D molecular structure presentation. |
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Copyright 1997-2003 Akira Dobashi, Department of Pharmaceutical Information
Science (formerly, Department of Structural Organic Chemistry).All rights
reserved.
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