table of contents
CDKDEPICT(1) | User Commands | CDKDEPICT(1) |
NAME¶
cdkdepict - draw SVG image for SMILES
DESCRIPTION¶
Depict molecules given as SMILES strings in SVG, PDF PS (PostScript) or EPS (Encapsulated PS) formats.
USAGE
- cdkdepict < input.smi cdkdepict inputs*.smi
OPTIONS:¶
-a, --auto-kekulise
- Attempt to "kekulise" aromatic smiles, switch to non-kekulised representation if kekulisation fails (default)
-k, --kekulise
- Always "kekulise" aromatic smiles
-k-, --dont-kekulise, --do-not-kekulise
- Do not "kekulise" aromatic smiles, leave input as it is
--smiles c1ccccc1
- Specify SMILES string to depict instead of reading input files
-S, --svg-output Produce SVG output
-E, --eps-output Produce EPS output
-P, --pdf-output Produce PDF output
--supported-formats
- List formats supported for a given input
December 2024 | cdkdepict version 0.3.0 |