Convert Double Bonds
This action converts the representation of unspecified CIS/TRANS double bond stereo information to wiggly or crossed type. Specify one of the following representation types:
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Convert to wiggly representation: double bonds with unspecified CIS/TRANS stereo information will be converted to wiggly representation. (convertdoublebonds:wiggly)
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Convert to crossed representation: double bonds with unspecified CIS/TRANS stereo information will be converted to crossed representation. (convertdoublebonds:crossed) (default)
Example :
Action |
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Output |
Convert Double Bonds |
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Convert Double Bonds |
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Note : If input molecules have no 2D coordinates (e.g., SMILES input), then also 2D clean is performed before converting the double bond representation.