MobleyLab / Lomap

Alchemical mutation scoring map
MIT License
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Update documentation for output of mapping info; handling of different charges #17

Closed davidlmobley closed 2 years ago

davidlmobley commented 7 years ago

We implemented changes allowing easy access to/output of mapping info (https://github.com/MobleyLab/Lomap/issues/9 ), and for planning calculations involving mapping between molecules of different charges when an expert desires (https://github.com/MobleyLab/Lomap/issues/10) . We need to update the documentation/README.md to reflect this.