VEGA ZZ Plugins plugins.ini contains the start-up configuration of all plug-ins. Conjugate gradients minimization (3000 steps, toler = 0.01). ![]() Steepest descent minimization (50 steps, toler = 1.00).Distance geometry optimization with the Gauss-Siedel algorithm (15 steps).To force this step even if the hydrogens are already added, you must check the VEGA ZZ -> Force add hydrog. This operation is executed only if no hydrogens are present. If the VEGA ZZ -> Convert to 3D menu item is checked, the structure is automatically converted to 3D during the transfer, following these steps: Select the custom menu VEGA ZZ -> Send to VEGA.You can select Yes to update VEGA ZZ and close ISIS/Draw, No to close ISIS/Draw without the update and Cancel to abort the procedure. Close the ISIS/Draw window: a message box is shown asking if you want update VEGA ZZ before exit. ![]() To transfer the molecule to VEGA ZZ, you can proceed in two ways: If a molecule is present in the current workspace, it will be transferred automatically in the ISIS/Draw environment, otherwise a blank project is created. If you start ISIS/Draw from the Windows start menu, the communication with VEGA ZZ is not operative. 12.5.3 Usage To start ISIS/Draw, you must select Edit -> ISIS/Draw in the main menu. If you skip this step, the VEGA ZZ is unable to start properly ISIS/Draw. Other releases and the kanji version are incompatible. Please remember that the plug-in supports the 2.5 english release only. ![]() The package is free available for academic non-profit use after the registration procedure.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |