this is for holding javascript data
Somayeh edited Align_it_is_a_successor__.tex
over 8 years ago
Commit id: f0cb447fddc40ab3148701e4452841130e52016f
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Align-it™ is a successor of the program Pharao from Silicos to align compounds based on their pharmacophore features. A pharmacophore point is defined as a 3-dimensional Gaussian volume in which the volume is defined by its center and spread or sigma.
The first step of pharmacophore modeling in
Align itTM Align-itTM is the generation of pharmacophore features from input structures. Then, a score is computed from the volume overlap resulting from the rigid alignment of pairs of pharmacophores in a fixed conformation. align-it.py Python script of Align-it™ is integrated into PyMol visualization program.