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Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
Binding site descriptor generation for SVM based classification.
A set of java programs that extract coordinate and chemical information from PDB files.
The binding site regions are extracted using grid based scheme.
For binding site, spatio-chemical descriptor is generated based on PocketMatch algorithm of Dr. Kalidas (author of this project too).