Does this excellent project support cif (crystallographic information file) or not ? Thanks!

molinfo-vienna / CDPKit

The Chemical Data Processing Toolkit

https://cdpkit.org

GNU Lesser General Public License v2.1

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Does this excellent project support cif (crystallographic information file) or not ? Thanks! #16

Closed zhangfq-chemistry closed 1 month ago

seidelt commented 4 months ago

No, CIF input and output is not yet supported. I will add it to the TODO list for the next release....

zhangfq-chemistry commented 4 months ago

Thanks!

seidelt commented 1 month ago

CDPKit now fully supports reading/writing data in mmCIF format! If you use CDPKit's functionality via Python on Linux then you can already use this new feature by installing the CDPKit V1.2.0 pre-release deposited on PyPI.

The pre-release can be installed as follows: $ pip install CDPKit==1.2.0.dev1