PLANTS

Protein-Ligand ANT System

version 1.1

author: Oliver Korb

scientific contributors: T.E. Exner, T. Stuetzle

contact: Oliver.Korb@uni-konstanz.de

PLANTS started in virtual screening mode ...

Structure options:
flip amide: 0
flip planar N: 1
force planarity for flippable bonds: 0
force free flippable bonds rotation: 1
flip ring corners: 0

Iteration scaling:
sigma: 1.25
max evaluations: 1000000000

Cluster algorithm settings:

structures: 10
RMSD: 2

Nelder Mead Simplex:

tolerance: 0.02
refine tolerance: 0.0001
maxEval: 5000

ACO parameter settings:

ants: 20
evaporation: 0.20
pbest: 0.50
enable local search: 1

Pheromone update rule:

global best: 0
iteration best: 1
descent best: 0
use constant value: 0

Greedy information:
use greedy information: 0
alpha: 1.00
beta: 1.00

Search schedule:

smoothings until restart: 3

smoothing delta: 0.50
convergence check ratio: 0.02
convergence no improvement bound: 10
refine local search bound: 0.20
force descent best update: 5