The ctfile package is a Python library that facilitates reading and writing
of CTfile formats.
CTfile stands for Chemical Table file which is a family of text-based chemical
file formats and is used to describe chemical molecules and reactions.
The ctfile package provides ability to parse various chemical table file formats
(CTfile formats), currently molfile and SDfile.
The ctfile package runs under Python 2.7 and Python 3.4+. Use pip to install.
python3 -m pip install ctfilepy -3 -m pip install ctfile>>> import ctfile
>>>
>>> with open('path/to/ctfile', 'r') as infile:
>>> ctf = ctfile.load(infile)
>>>- Add support for version
V3000reading ofCTfileformatted files. - Add command-line interface.
- Add ability to convert between
V2000andV3000syntax. - Add proper package documentation.
This package is distributed under the BSD license.