Hi Vlad,
From here (cif-file in 'Supporting info'):
http://pubs.acs.org/cgi-bin/abstract.cgi/jacsat/2003/125/i47/abs/ja037055w.html
you find experimental structure of crystalline cellulose, or to be more
precise, this is the repeat unit of cellulose 1alpha. Takes some work to
turn this into a pdb-file, though.
If you are using Gromos, it might be easier just to build your own
molecule with PRODRG2/PRODRG2.5
-Jussi
CHINDEA Vlad wrote:
Hello
Does anybody has, or know were could I get from, a structure file for a single
molecule of cellulose (or at least a fragment of it). Preferably in PDB or MOL2
formats.
Many thanks
Vlad Chindea
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