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+remote_theme: pages-themes/cayman@v0.2.0
+plugins:
+- jekyll-remote-theme
+title: "mol2chemfigPy3"
+description: "A Python 3 version of mol2chemfig package"
+show_downloads: true

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+# mol2chemfigPy3
+
+[![PyPI](https://img.shields.io/pypi/v/mol2chemfigPy3?color=ff69b4)](https://pypi.org/project/mol2chemfigPy3/)
+[![Downloads](https://static.pepy.tech/personalized-badge/mol2chemfigpy3?period=total&units=international_system&left_color=black&right_color=green&left_text=Downloads)](https://pepy.tech/project/mol2chemfigpy3)
+![OS](https://img.shields.io/badge/OS-Win%20|%20Linux%20|%20macOS-blue?color=00B16A)
+![python](https://img.shields.io/badge/Python->3.8%20-blue.svg?color=dd9b65)
+![black](https://img.shields.io/badge/code%20style-black-black)
+![pytest](https://github.com/Augus1999/mol2chemfigPy3/actions/workflows/pytest.yml/badge.svg)
+
+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
+```
+
+## To future maintainers
+
+The static callgraph of this project is:
+
+[![callgraph](image/callgraph.svg)](image/callgraph.svg)
+
+## 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
+