this is for holding javascript data
Somayeh edited Align_it_is_a_tool__.tex
over 8 years ago
Commit id: 09fae85de24b0586d1c55dd26b2dcd1adc45bbe8
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Align-it™ is a
tool 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 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.