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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: MFsim—an open Java all-in-one rich-client simulation environment for mesoscopic simulation

Fig. 4

Molecular structure tab of the modal structure editor dialog: The SPICES line notation (upper left) of a cyclic peptide was prepared with the modal peptide dialog (available via the active Peptide button) thus the line notation is automatically split into several lines for each amino acid to alleviate comprehension. The notation is valid (confirmed by the Valid molecule label) and its cyclic topological structure is displayed below. Available structure elements (particles, brackets, tags etc.) are listed on the right

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