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Molecules on flat surface by using the package of Atomistic Topology Operations

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Chi Chun Jacky Yeung
Chi Chun Jacky Yeung on 22 Sep 2020 at 17:22
Answered: John D'Errico on 22 Sep 2020 at 19:06
I'm trying simluate a binding between streptavidin and biotin by this package.
I tried to follow the instruction on this web: http://moleculargeo.chem.umu.se/codes/atom-scripts/
but when I try to work on the second row with streptavidin pdb file:
mineral = replicate_atom(oneunitcell,Box_dim,[6 4 1]); % replicate the unit cell 6x4x1 times
There's an error "Unrecognized function or variable 'Box_dim'." but I've already install the package. So how should I fix it?

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Answers (1)

John D'Errico
John D'Errico on 22 Sep 2020 at 19:06
Without more carefully reading the help for the code you are using, when I go to that link, it describes Box_dim as a variable.
I assume Box_dim is intended to specify something about the dimensions of a box. (Why does that seem reasonable to me?)
Anyway, I would read the manual! Documentation is put there for a reason. If absolutely no documentation was provided, then good luck. Contact the authors.

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