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PerkinElmer Informatics Support Forum | ![]() |
Topic Title: A question on Chem3D calculation Topic Summary: Created On: 12/6/2017 10:29 AM Status Post and Reply |
Linear : Threading : Single : Branch |
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I drew a structrue with a pyridine coordinated to Pt (coordinating atom: N). When I put the structure into Chem3D it always showed a lone pair on N which should not exist. I changed the bond between N and Pt to a dative bond and then did MM2 calculation to get the configuration, but when the calculation started it changed the dative bond to a single bond automatically and the lone pair appeared again. What can I do to delete the lone pair on N? |
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------------------------- - PKI Support Edited: 12/7/2017 at 1:22 AM by CS RNA |
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How to change atom type? I created a new entry in the MM2 atom type table, but I don't know how to apply the new type. |
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------------------------- - PKI Support |
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