[MMTK] protein setup
Asbjorn Christensen
asbjorn@fysik.dtu.dk
Thu, 15 May 2003 16:05:22 +0200
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)?
Of course, this be done in a variety of not non-sense ways, e.g. a
"linear" chain. If anybody has a simple example of translating
a letter sequence to a sensible all-atom protein model (with positions defined),
this will be appriciated.
PS: is Examples/protein_construction.py in the online dokumentation
up to date? Our MMTK installation has
highest "last revision:" == 2002-6-3
Best wishes, Asbjorn
--
Asbjorn Christensen, PhD
CAMP, Physics Department, Building 307
Technical University of Denmark,
DK-2800 Lyngby, Denmark
E-mail: asbjorn@fysik.dtu.dk
Telephone: (+45) 45 25 32 27
Telefax: (+45) 45 93 23 99
office: room 257