lvpp/sigma

Issues

• Add new molecule sigma file for database

  #74 opened 7 months ago by XiaochunXU
  0

• sigma profiles difference

  #24 opened a year ago by tauha18
  2

• scons [tab error] inconsisten used of tab or indentation

  #46 opened a year ago by Anggawirya
  1

• error 127 and error 1

  #57 opened 2 years ago by juanchoccb
  0

• Sigma Profile of Melanoidins Calculation

  #56 opened 2 years ago by luisatobar
  0

• Cyclopentyl methyl ether

  #52 opened 2 years ago by henriquegasparetto
  1

• Calculate COSMO activity coffecient for riluzole drug and carbon dioxid

  #30 opened 3 years ago by mohammadamin73
  9

• Calculation COSMO activity coefficient for riluzole drug and carbon dioxid

  #31 opened 3 years ago by mohammadamin73
  0

• N-Acetylglucosamin (C8H15NO6) = NAG

  #10 opened 4 years ago by ihamidindar
  6

• NA+1 not supported

  #14 opened 4 years ago by gsimon-ens
  3

• Carotenoids

  #12 opened 4 years ago by allanmorcelli
  1

• Chlorophyll a and Chlorophyll b

  #13 opened 4 years ago by allanmorcelli
  0

• Mint doi for release?

  #11 opened 4 years ago by ianhbell
  4

• Empty Cavities

  #3 opened 6 years ago by DetlevCM
  2

• TCB-1

  #9 opened 6 years ago by rpseng
  1

• Biodiesel related compounds

  #6 opened 6 years ago by rpseng
  1

• Cinnamic acid derivatives (CADs)

  #8 opened 6 years ago by rpseng
  2

• 1,1,2-TRICHLOROETHANE conformers

  #5 opened 6 years ago by rpseng
  1

• Identification list for species:

  #7 opened 6 years ago by DetlevCM
  3

• D-Glucose molecule

  #4 opened 6 years ago by rpseng
  1

• Please add g-valerolactone

  #2 opened 6 years ago
  1

• Please add Quercetin

  #1 opened 7 years ago by rpseng
  1