Skip to content

Releases: cabb99/open3spn2

0.3.3

31 Oct 04:01
4fd23a4
Compare
Choose a tag to compare

Fixes complementary strand geometry

0.3.2

24 Oct 18:22
20b5253
Compare
Choose a tag to compare

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)

open3spn2 0.2.2

09 Jun 22:28
Compare
Choose a tag to compare

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

open3spn2 0.2.0

08 Jun 06:18
Compare
Choose a tag to compare

Adds topology creation as part of DNA creation

open3spn2 0.1.3

04 Feb 04:55
0efdfa6
Compare
Choose a tag to compare
  • Adds conda compatibility

open3spn2 0.1.2

20 Nov 04:06
Compare
Choose a tag to compare

-Adds the project to pip
-Adds documentation

open3spn2 0.1.0

12 Nov 20:09
Compare
Choose a tag to compare
open3spn2 0.1.0 Pre-release
Pre-release
  • Implements 3SPN forcefields for A, B and B_curved DNA types
  • Implements Protein-DNA interactions for simulations with openAWSEM