Skip to content

Commit

Permalink
Merge branch 'github'
Browse files Browse the repository at this point in the history
  • Loading branch information
Stefan Hammer committed Mar 8, 2018
2 parents 97e8c00 + 2639b83 commit a84f278
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions bin/design-ligandswitch.py
Original file line number Diff line number Diff line change
Expand Up @@ -200,8 +200,9 @@ def ligand_objective(design, printDetails=False):

if printDetails:
print("prob_bc_ligand: {0:}\nprob_ac: {1:}\nprob_bc: {2:}\nscore: {3:}".format(prob_bc_ligand, prob_ac, prob_bc, score))

return score

# we need to maximize the score
return 1-score

def G_from_Z(Z, temperature):
return - ((temperature + 273.15)*1.98717)/1000.0 * math.log(Z)
Expand Down

0 comments on commit a84f278

Please sign in to comment.