# mol2chemfigPy3
[](https://pypi.org/project/mol2chemfigPy3/)
[](https://pepy.tech/project/mol2chemfigpy3)
This is NOT an official version of mol2chemfig for python 3.
mol2chemfigPy3 is a translation from py2 to py3 based on
old [mol2chemfig](http://chimpsky.uwaterloo.ca/mol2chemfig/download) version 1.5.
## Install
### install from PyPi
```bash
$ pip install -U mol2chemfigPy3
```
## Usage
### Use in command line
> `mol2chemfig` and `python -m mol2chemfigPy3` are equivalent.
#### 1. getting version
```bash
$ mol2chemfig --version
```
#### 2. getting help
```bash
$ mol2chemfig -h
```
#### 3. some examples
##### 3.1 converting SMILES
```bash
$ mol2chemfig -zw -i direct "C1=CC=C(C=C1)O"
```
it will give you
```latex
\chemfig{OH-[:180,,1]=_[:240]-[:180]=_[:120]-[:60]=_(-[:300])}
```
##### 3.2 writing to an output file
```bash
$ mol2chemfig -zw -i direct "C1=CC=C(C=C1)O" > phenol-smi-terse.tex
```
it will write result to file `phenol-smi-terse.tex`
##### 3.3 searching PubChem database
```bash
$ mol2chemfig -zw -i pubchem 996
```
##### 3.4 reading from a file
```bash
$ mol2chemfig -zw peniciling.mol
```
### Use as a python package (new add in to this python 3 version)
This is not included in the original Py2 version of mol2chemfig.
> mol2chemfigPy3.___mol2chemfig___(content: _str_, *args: _str_, rotate: _float = 0.0_, aromatic: _bool = True_, marker: _Optional[str] = None_, name: _Optional[str] = None_, relative_angle: _bool = False_, show_carbon: _bool = False_, show_methyl: _bool = False_, inline: _bool = False_)
e. g.
```python
from mol2chemfigPy3 import mol2chemfig
mol2chemfig('996') # search the PubChem database
mol2chemfig('C1=CC=C(C=C1)O') # transfer InChI/SMILES to chemfig
mol2chemfig('./methanol.smi') # from a file
```
## Document
~~See official document [mol2chemfig-doc.pdf (uwaterloo.ca)](http://chimpsky.uwaterloo.ca/m2cf_static/mol2chemfig-doc.pdf)~~
The website seems down, so here is a mirror [mol2chemfig Documentation Version 1.5](https://mirror.ox.ac.uk/sites/ctan.org/graphics/mol2chemfig/mol2chemfig-doc.pdf)
## License
MIT license
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