Thank you David, this solved my problem :)
Antonija
Citiram David A Case <case.biomaps.rutgers.edu>:
> On Wed, Jun 15, 2011, Antonija Tomić wrote:
>>
>> As Donald said I am using loadPdbUsingSeq command in tleap because I
>> want to take the middle part of my big enzyme for further calculations
>> and for that I need to leave these ends with open valences (I don't
>> want tleap to create charged termini or to add neutral protecting
>> groups).
>
> The easiest solution is to edit the leaprc file you are using (keeping a
> backup copy of course), changing the AddPdbResMap part (this is the part
> that tells LEaP to convert N- and C-terminal residues to their charged
> counterparts).
>
> The above is a bit of a guess: it prevents any changes to the terminal
> residues, and so may serve your needs.
>
> ....dac
>
>
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Received on Thu Jun 16 2011 - 05:00:04 PDT
