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Topic Title: Chem3D 8 ligand geometry unspecified
Topic Summary: Trying to create a new type of atom with this geometry
Created On: 8/30/2017 5:08 PM
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 8/30/2017 5:08 PM
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FedericoR

Posts: 1
Joined: 8/30/2017

Hi,

I would like to model some structures that contain an atom with 8 ligands attached. The Atom Type table does list the '8 ligand' option, but according to some literature I have found, this geometry is actually unspecified. If I use the atom I created with this geometry, all I get is a octahedral atom.

Any suggestions?

Thanks.

 10/13/2017 3:21 AM
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CS RNA

Posts: 615
Joined: 2/25/2009

While transferring the 2D information (i.e 2D ChemDraw structure information) to 3D, the 3D model of the structure generated based on defined atoms in Chem3D application (Atom types in the Parameter Tables). When it does not find one, it guesses and uses the closest one. So you have to check the missing element in the Chem3D application. The following links provide you some information regarding this.

http://www.cambridgesoft.com/support/DesktopSupport/KnowledgeBase/FAQ/details/Default.aspx?TechNote=581&KBCats=112&KBTopics=9999&KBOS=9999

http://www.cambridgesoft.com/support/DesktopSupport/KnowledgeBase/FAQ/details/Default.aspx?TechNote=397&KBCats=112&KBTopics=9999&KBOS=9999

Also you can get the information regarding defining atoms in Chem3D/ChemBio3D from the user manual. You can get the manual from the follwonig link by selecting the product Chem3D/ChemBio3D

http://www.cambridgesoft.com/support/DesktopSupport/Documentation/Manuals/



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Edited: 12/7/2017 at 1:23 AM by CS RNA

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