Dear Mudrika,
in order to build an hexagonal fibril (primary maize cell wall), like the one shown in the paper, navigate to cellulose-builder's directory
and type, for instance,
./cellulose-builder fibril 100
i.e. launch the program with the word 'fibril' as first argument and an integer number as second number. This number stands for the number of cellobiose units in each cellulose chain (1 cellobiose = 2 glucoses).
The program does not deliver single fibrils, just assemblies of them. You can, nevertheless, yank the set of lines corresponding to a single fibril from any PDB file created by cellulose builder and paste those line into a new file.
Individual cellulose molecules are labeled as M0, M1, M2 ... etc. in the PDB files generated by cellulose builder.
Hope this helps.
Best Regards.
Thiago