Hi Tim,
Thanks for your message and sorry if I wasn't clear. I don't have
neither the axis orientation nor the rotation matrix. I would like to
create them but don't know how and which program to use. Theoretically a
have to create a axis (vector) at some distance of the molecule into the
cell and give it the 4-fold propriety. Quite simple, but don't which
program to use.
Regards,
Fred
Em 12-12-2011 18:23, Tim Gruene escreveu:
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> Hello Fred,
>
> if you know the rotation matrix, you can use pdbset with its 'rotate'
> keyword.
> It is not clear to me whether or not you have the rotation matrix or how
> you define rotation.
>
> Cheers,
> Tim
>
> On 12/12/2011 08:49 PM, Fred wrote:
>> Hi List,
>> I would like to build an artificial tetramer from a monomer PBD file.
>> All that I have is the coordinates it self with CRYST/CELL information
>> cards. The artificial 4-fold axis has an arbitrary orientation into the
>> cell. I mean, its not parallel to any crystallographic axis and have to
>> be at a certain distance of the molecule. This sounds conceptually
>> simple, but I would like to do that in batch mode for hundreds of PDB's.
>> Could someone, please, tell me the easiest way/program to do that?
>> Thanks in advance,
>> Fred
>>
> - --
> - --
> Dr Tim Gruene
> Institut fuer anorganische Chemie
> Tammannstr. 4
> D-37077 Goettingen
>
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