Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite/CADDSuite-description.txt @ 1:867bf9f815a0

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author g2cmnty@test-web1.g2.bx.psu.edu
date Sun, 26 Jun 2011 13:45:14 -0400
parents bac3c274238f
children
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0:bac3c274238f 1:867bf9f815a0
28 - MolPredictor: predict molecule activities with QSAR model 28 - MolPredictor: predict molecule activities with QSAR model
29 - AutoModel: automatically find best QSAR model 29 - AutoModel: automatically find best QSAR model
30 30
31 Docking: 31 Docking:
32 - WaterFinder: find strongly bound water molecules 32 - WaterFinder: find strongly bound water molecules
33 - SpatialConstraintDefiner: define spatial constraint
33 - ConstraintsFinder: find strongly interacting residues 34 - ConstraintsFinder: find strongly interacting residues
34 - PocketDetector: detect ligand binding pocket 35 - PocketDetector: detect ligand binding pocket
35 - GridBuilder: precalculate grids for docking 36 - GridBuilder: precalculate grids for docking
36 - IMeedyDock: run Iterative Multi-Greedy Docking 37 - IMeedyDock: run Iterative Multi-Greedy Docking
37 38