Re: [AMBER] Arrangement of molecules in 3D packed state

From: jacob wick <jacobwick.la.gmail.com>
Date: Thu, 23 Apr 2015 14:29:59 +0530

>
> >This is fine for any size molecule. We often use these tools to prepare
> >crystal simulations of small molecules.
>
> Thanks for the response!
You mentioned that people use it for crystal simulations of small
molecules, but is there is any standard pdb's available for such small
molecules. I mean we often use cif file format for small molecules and
pdb's are for biomolecules like protein, DNA etc.only.

I have a cif file of a small molecule of my interest. So, is it worth to
use UNITCELL command on cif file or only pdb file format is required?

Looking for a response from you.

Thanks and Regards,
Jac
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Received on Thu Apr 23 2015 - 02:30:02 PDT
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