Code

New features in analyser#26

Code

Merged

degiacom merged 6 commits intomasterDegiacomi-Lab/molearn:masterfrom devDegiacomi-Lab/molearn:devCopy head branch name to clipboardDec 11, 2024

+239-37

Commits

Commits on Oct 7, 2024

• Add scan chiral inversion method; add sidechain modelling to relaxation; fix reading multiple trajectories into pdbdata

  

  rzhu

  committed
  23949d3

Commits on Nov 29, 2024

• fix static methods; add scan bond length

  

  rzhu

  committed
  644c150

• del redundant enumerate

  

  rzhu

  committed
  cc8017e

• fix path to file

  

  rzhu

  committed
  192d3bf

Commits on Dec 6, 2024

• formatting

  gwirn

  committed
  2d61fcd

• chirality check per structure

  gwirn

  committed
  6bcdf39