[AMBER] How to show double bond connection between N=O2

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Sat, 14 Oct 2017 19:31:29 +0500

Here is active site connections (bonds) of heme that is also bonded with
Histidine at its one side (proximal) and other distal side connected with
NO. FE bonded with Nitrogen with single bond and Nitrogen bonded with
Oxygen with double bond. I want to know. How i can show double bond
connection between nitrogen and Oxygen. Is it necessary or i can go for
simulation with the same structure as given in the image kindly guide.
mol = loadpdb no_mcpbpy.pdb
bond mol.105.NE2 mol.188.FE ......Histidine
bond mol.187.NA mol.188.FE .......heme
bond mol.187.NB mol.188.FE ........heme
bond mol.187.ND mol.188.FE ........heme
bond mol.187.NC mol.188.FE..........heme
bond mol.188.FE mol.189.N01.........Nitrogen
bond mol.104.C mol.105.N
bond mol.105.C mol.106.N

Kind Regards

AMBER mailing list

(image/png attachment: his---fe---NO.png)

Received on Sat Oct 14 2017 - 08:00:02 PDT
Custom Search