v0.3.3 - bugfix cycle detection

diogomart released this 11 May 02:21

· 849 commits to develop since this release

34b5545

Fixes bug that causes small cycles, such as 6-member rings, to be modeled flexibly without glue atoms (e.g. CG0/G0).

Example: O1CC2C(CC1)C1C(C2)CCCC1 sdf

First reported in ccsb-scripps/AutoDock-Vina#106

New feature: support for covalent docking

Assets 2