Re: [AMBER] HIE CONVERT INTO HID

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Fri, 7 Jul 2017 16:14:54 -0400

No its not added Sir. Actually I want to convert only one position
hydrogen. remove the epsilon position hydrogen and add it to Delta position
Histidine mean convert HIE TO HID

On Fri, Jul 7, 2017 at 3:51 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> Have you tried just loadpdb, and see if leap places the H?
>
> Bill
>
>
> On 7/7/17 12:44 PM, Rana Rehan Khalid wrote:
> > Hi Everyone
> >
> > I want to change Histidine protonation state. After H++ the pdb file
> show
> > HIE but i want to change it HID, because in my protein NE position bonded
> > with Fe. While according to HIE that NE protonaed H. I tried to manually
> > change the HIE to HID and remove that NE hydrogen. But I think i have to
> > protonate the ND position Kindly tell me how can i do this?
> >
> > Thanks
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Received on Fri Jul 07 2017 - 13:30:03 PDT
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