Is it possible for ChemBio3D to model interactions with transition metal ions?

Created
October 08, 2021 22:58

Date Posted: 2011-10-26
Product: Chem3D

Problem:

Solution:

Yes, such modeling can be done using Chem3D’s interfaces to third party packages. For example, to orient a metal ion around this supplied molecule, manually place the ion somewhere in the 3d model space (close to where you think the interaction will be made) and then select GAMESS->Minimize. This will throw up a dialog box where the user can select all the different modeling options offered by games.