Metadata-Version: 2.1
Name: tscode
Version: 0.0.2
Summary: Computational chemistry general purpose transition state builder
Home-page: https://www.github.com/ntampellini/tscode
Author: Nicolò Tampellini
Author-email: nicolo.tampellini@yale.edu
License: UNKNOWN
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.
Keywords: computational chemistry,ASE,transition state,xtb
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.8
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Description-Content-Type: text/markdown
