v0.8.0

davidlmobley released this 21 May 04:00

· 120 commits to master since this release

This release:

Removes acpype, which had been deprecated
Changes license to MIT
Implements new charging routine from OpenEye while maintaining legacy charging as an option
Makes minor maintenance changes to Epik
Allows standardization of water names (such as to allow proper water recognition via MDTraj)

Assets 2