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This takes a PDB (Protein Data Bank) filename as an argument and produces two CSV files from it: The first, center.csv, calculates the carbon/nitrogen/calcium pseudocenter for each residue in the given PDB. The second, cadist.csv, calculates the distance between calcium atoms in neighboring residues.
defines the interface region of a protein complex making possible to calculate the i_rmsd between native and predicted structures following the CAPRI criteria
A new Palm OS emulator targeting compatibility, speed, and accuracy in that order. This is dedicated to Emily, the developer of Mu, who passed away in 2020. May you rest well.