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Figure 1
The TXT input mode. (a) 3,7-Dimethyl-1-propargylxanthine as an example for TXT input. Single bonds can be input as – or |, double bonds as = or “ and triple bonds as #. Atoms must be separated by bonds, while bonds/atoms that are not connected must be separated by white space; `diagonal' connections are not accepted. H atoms may be included but will be ignored. (b) Common mistakes when entering TXT drawings. Left (ethanol) from top to bottom: correct drawing; useless inclusion of H atoms; missing bonds. Right (ethylene oxide) from top to bottom: correct drawing; no space between O and the C—C bond; diagonal connection to O. (c) The chirality of atoms can be changed by using lower-case element symbols.

Journal logoBIOLOGICAL
ISSN: 1399-0047
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