Somayeh edited Align_it_is_a_successor__.tex  over 8 years ago

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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.