Re: [AMBER] 3NKB5

From: 王珍 <wangzhenzk.126.com>
Date: Wed, 28 May 2014 21:00:20 +0800 (CST)

Hi Jason,
Thank you for your help. I solved the problem based on your suggestion. thank you!







At 2014-05-27 06:20:14, "Jason Swails" <jason.swails.gmail.com> wrote:
>On Tue, May 27, 2014 at 3:08 AM, 王珍 <wangzhenzk.126.com> wrote:
>
>> Hi Sir,
>>
>> Recently I use the Ambertools12 to protonate the N3 of the base Cytosine62
>> of the nucleic, I find the model of pdb at the
>> AmberTools12/amber12/dat/leap/prep/protonated_nucleic/RC+.pdb. but I do not
>> realize how can I call the model to add the hydrogen according the RC+.pdb.
>>
>> I will deeply appreciate if you would like to tell me the solution.
>>
>
>The protonated nucleic acids can be loaded into your leap session using
>the command "loadOFF all_prot_nucleic10.lib". At that point, if you rename
>the C 62 residue "CP" in your nucleic acid PDB file, leap will add
>hydrogens according to the protonated Cytosine template.
>
>HTH,
>Jason
>
>--
>Jason M. Swails
>BioMaPS,
>Rutgers University
>Postdoctoral Researcher
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Received on Wed May 28 2014 - 06:30:02 PDT
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