[MMTK] protein setup

[Konrad Hinsen]

> Dear MMTK users,
>
> is there any simple way to initialize the position of atoms
> in a protein directly from a given letter sequence ["Ala", "Gly", "Tyr"=
,
> ...] WITHOUT reading an experimental PDB file (of the entire protein)?

No, not at this time. Of course, MMTK cannot solve the protein folding=20
problem, so the choice for such an operation would be limited to generati=
ng=20
standard patterns such as alpha helices and beta sheets. I am not sure th=
ere=20
is really any use for that. Anything beyond that would be a research proj=
ect=20
rather than an implementation.

> PS:  is Examples/protein_construction.py in the online dokumentation
>        up to date? Our MMTK installation has
>        highest "last revision:" =3D=3D  2002-6-3

Examples ideally never change, that would imply an incompatible change in=
 the=20
interface. This one works fine for me. But it doesn't solve your problem.

Konrad.
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Konrad Hinsen                            | E-Mail: hinsen@cnrs-orleans.fr
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