Crystal faces

[hengameh shams]

Hello,

I am new to crystals and trying to model the interaction between a protein and face 110 of the cellulose crystal but couldn't find a direct hint about it in the paper. Could you kindly help me with building a sample crystal that has face 110?

Thanks very much for you help in advance,

Hengameh

[Thiago Gomes]

Dear Hengameh,

you could either build a 36-chain hexagonal fibril, by using the command:

./cellulose-builder fibril N

where N is an integer number and represents the number of cellobiose units on each cellulose chain,

OR you could build a large crystal and remove unwanted chains (with the help of VMD, for instance) to obtain a crystallite that fits your particular needs.

Best wishes,

Thiago

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