akiyamalab/restretto

Issues

• ドッキング計算のオプション追加

  #30 opened 3 months ago by smzmsys
  0

• 環の中にあるかをfragdock::Bondに記録させるべき

  #26 opened 5 months ago by keisuke-yanagisawa
  1

• Enable to use larger atom grids

  #23 opened 10 months ago by keisuke-yanagisawa
  0

• log file path of atomgrid-gen

  #22 opened a year ago by keisuke-yanagisawa
  0

• Minimum RMSD does not work

  #19 opened a year ago by keisuke-yanagisawa
  1

• The Urgent Code Request for Your Paper named “Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations”

  #15 opened a year ago by caolujing
  1

• Error message when the config file is not found is wrong

  #13 opened a year ago by keisuke-yanagisawa
  3

• testdata directory

  #12 opened a year ago by JudeBetow
  6

• Treating IntraEnergy wrongly

  #9 opened a year ago by keisuke-yanagisawa
  1

• Explicit error message is needed if output / log files cannot be created

  #7 opened a year ago by keisuke-yanagisawa
  0

• Amide bonds should be classified as non-rotatable bonds

  #6 opened a year ago by keisuke-yanagisawa
  0

• update publication

  #4 opened 2 years ago by keisuke-yanagisawa
  0

• Commit codes for publication

  #1 opened 3 years ago by keisuke-yanagisawa
  0

• Update the README.md

  #2 opened 5 years ago by keisuke-yanagisawa
  1