Computational chemistry general purpose transition state builder
Project description
TSCoDe: Transition State Conformational Docker.
Systematically generate poses for bimolecular and trimolecular transition states. Support for open and cyclical transition states, exploring all regiosomeric and stereoisomeric poses.
TSCoDe Changelog
0.0.1 (10 Aug 2021)
- First release
0.0.2 (10 Aug 2021)
- If pivots decrease during a bend, an exception is raised. Future versions might have a different behavior in this scenario.
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