Re: [AMBER] HIE CONVERT INTO HID

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Fri, 7 Jul 2017 13:27:14 -0700

You edited the pdb to change the residue name, deleted any extra atoms,
and made the atom names agree with the names for that residue, and it
did not place a new atom for you?

Bill


On 7/7/17 1:14 PM, Rana Rehan Khalid wrote:
> 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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>>
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Received on Fri Jul 07 2017 - 13:30:03 PDT
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