support xyz format or not?

molinfo-vienna / CDPKit

The Chemical Data Processing Toolkit

https://cdpkit.org

GNU Lesser General Public License v2.1

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Closed zhangfq-chemistry closed 11 months ago

zhangfq-chemistry commented 11 months ago

Excellent project!

seidelt commented 11 months ago

Thank you!!

Regarding support for the XYZ format: I can easily implement it, shouldn't be a big deal. Give me a few days....

seidelt commented 11 months ago

Hi, CDPKit now fully supports reading (including atom connectivity and bond order perception) and writing XYZ-files. Give it a try!

zhangfq-chemistry commented 11 months ago

Thanks!