[MMTK] Rotating parts of the side-chain of a residue

Konrad Hinsen hinsen at cnrs-orleans.fr
Sun Jan 25 15:12:26 CET 2004


On 24.01.2004, at 10:31, Urban Hafner wrote:

> On Wednesday, Jan 21, 2004, at 12:34 Europe/Berlin, Konrad Hinsen 
> wrote:
>
>> atoms = Collection([sidechain.CG, sidechain.HG])
>
> Another question: Is this code "sidechain.CG" etc legal? Or what is the
> best way to get specific atoms by name from a residue?
>
This is the best way, after setting "sidechain" to the sidechain group 
of the residue, of course.

The names of atoms and groups are defined in the MMTK database 
(MMTK/Database/Groups/*) and can be used freely in applications.

Konrad.




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