Metadata-Version: 2.1
Name: tscode
Version: 0.0.3
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
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
Requires-Dist: matplotlib (==3.4.2)
Requires-Dist: periodictable (==1.6.0)
Requires-Dist: networkx (==2.5.1)
Requires-Dist: numpy (==1.21.1)
Requires-Dist: scipy (==1.6.3)
Requires-Dist: rmsd (==1.4)
Requires-Dist: cclib (==1.7)
Requires-Dist: ase (==3.21.1)
Requires-Dist: sella (==1.0.0)
Requires-Dist: sphinxemoji (==0.1.8)

## 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.

