mol2chemfig v. 1.5, by Eric Brefo-Mensah and Michael Palmer mol2chemfig generates chemfig code from molfiles. Usage example: mol2chemfig --angle=45 --aromatic-circles somefile.mol Options: -h, --help Print help message and exit (Default: False) -b, --version Print program version and exit (Default: False) -i, --input How to interpret the argument. With 'file', mol2chemfig expects a filename. With 'direct', the argument is intrepreted directly; don't forget to put quotes around it. With 'pubchem', the argument is treated as an identifier for the PubChem database. (Default: file) -z, --terse Remove all whitespace and comments from the output. If you can still read it afterwards, Bill Gates wants your resume (Default: False) -r, --strict Abide by Indigo's chemical structure validation. If true, mol2chemfig will fail if Indigo reports that something is wrong with the molecule, like a carbon with five bonds. If false, mol2chemfig will ignore such errors (Default: True) -d, --indent Number of spaces to use for indenting molecule branches in generated code. Without effect when 'terse' option is passed. Affects only the generated tex code, not the rendered molecule (Default: 4) -u, --recalculate-coordinates Discard existing coordinate and calculate new ones from covalent structure. For smiles input, this is performed implicitly (Default: False) -a, --angle Rotate molecule counterclockwise by this angle (Default: 0.0) -v, --relative-angles Use relative bond angles (Default: False) -p, --flip Flip the structure horizontally (Default: False) -q, --flop Flip the structure vertically (Default: False) -c, --show-carbons Show element symbol for carbon atoms (Default: False) -m, --show-methyls Show element symbols for methyl groups (implied if show-carbons is True) (Default: False) -y, --hydrogens How to deal with explicit hydrogen atoms. One of 'keep', 'add' or 'delete'. Note that 'add' will also trigger calculation of new coordinates for the entire molecule. Option 'keep' does nothing (Default: keep) -o, --aromatic-circles Draw circles instead of double bonds inside aromatic rings (Default: False) -f, --fancy-bonds Draw fancier double and triple bonds (Default: False) -g, --markers Give each atom and each bond a unique marker that can be used for attaching electron movement arrows. With value 'a', atom 2 will be labeled @{a2}, and its bond to atom 5 @{a2-5}. (Default: None) -n, --atom-numbers Show the molfile number of each atom next to it. When this option is set, charges and implicit hydrogens will not be shown (Default: False) -s, --bond-scale How to scale the lengths of bonds (one of 'keep', 'scale', or 'normalize') (Default: normalize) -t, --bond-stretch Used as scaling factor (with --bond- scale=scale) or average (with --bond- scale=normalize) for bond lengths (Default: 1.0) -w, --wrap-chemfig Wrap generated code into \chemfig{...} command (Default: False) -l, --submol-name If a name is given, wrap generated code into chemfig \definesubmol{name}{...} command (Default: None) -e, --entry-atom Number of first atom to be rendered. Relevant only if generated code is to be used as sub-molecule (Default: None) -x, --exit-atom Number of last atom to be rendered. Relevant only if generated code is to be used as sub-molecule (Default: None) -k, --cross-bond Specify bonds that should be drawn on top of others they cross over. Give the start and the end atoms. Example for one bond: --cross-bond=5-6 Example for two bonds: --crossbond=4-8,12-13 (Default: None)