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. Author manuscript; available in PMC: 2011 Jun 3.

Published in final edited form as: J Phys Chem B. 2010 Jun 3;114(21):7413–7422. doi: 10.1021/jp102092m

Interface system used to interact with the NCAD database. (a) Window used to perform the search. (b) Window showing details about the theoretical study at the highest quantum mechanical level reported in the literature for the nc-aa selected; the Rasmol 3D-view of a selected minimum energy conformation and the report are also displayed (both are generated through internal calls of the interface upon the user’s request).

Interface system used to interact with the NCAD database. (a) Window used to perform the search. (b) Window showing details about the theoretical study at the highest quantum mechanical level reported in the literature for the nc-aa selected; the Rasmol 3D-view of a selected minimum energy conformation and the report are also displayed (both are generated through internal calls of the interface upon the user’s request).