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:
Convert to wiggly representation: double bonds with unspecified CIS/TRANS stereo information will be converted to wiggly representation. (convertdoublebonds:wiggly)
Convert to crossed representation: double bonds with unspecified CIS/TRANS stereo information will be converted to crossed representation. (convertdoublebonds:crossed) (default)
Example :
| Action | Input | Output |
|---|---|---|
Convert Double Bonds (convertdoublebonds:wiggly) |
convert double bonds input |
convert double bonds output |
Convert Double Bonds (convertdoublebonds:crossed) |
convert double bonds input |
Note : If input molecules have no 2D coordinates (e.g., SMILES input), then also 2D clean is performed before converting the double bond representation.
convert double bonds input
convert double bonds output