open3spn2 - 0.3.3

Fixes complementary strand geometry

- Python
Published by cabb99 over 2 years ago

open3spn2 - 0.3.2

Updates code to OpenMM 8.0 Optimizes non-bonded exclusion setup Removes X3DNA dependency Moves CI from travis to github actions Converts parameter to KJ/mol (openMM and literature default)

- Python
Published by cabb99 over 2 years ago

open3spn2 - open3spn2 0.2.2

Fixes shear, stretch, stagger, buckle, propeller, and opening parameters for X3DNA template creation

- Python
Published by cabb99 over 4 years ago

open3spn2 - open3spn2 0.2.0

Adds topology creation as part of DNA creation

- Python
Published by cabb99 over 4 years ago

open3spn2 - open3spn2 0.1.3

• Adds conda compatibility

- Python
Published by cabb99 about 6 years ago

open3spn2 - open3spn2 0.1.2

-Adds the project to pip -Adds documentation

- Python
Published by cabb99 over 6 years ago

open3spn2 - open3spn2 0.1.0

• Implements 3SPN forcefields for A, B and B_curved DNA types
• Implements Protein-DNA interactions for simulations with openAWSEM

- Python
Published by cabb99 over 6 years ago