Hydrogen Bonds Computing Server (HBCS): an online web server to compute hydrogen-bond interactions and their precision

Hydrogen bonds in biological macromolecules play significant structural and functional roles. They are the key contributors to most of the interactions without which no living system exists. In view of this, a web-based computing server, the Hydrogen Bonds Computing Server (HBCS), has been developed to compute hydrogen-bond interactions and their standard deviations for any given macromolecular structure. The computing server is connected to a locally maintained Protein Data Bank (PDB) archive. Thus, the user can calculate the above parameters for any deposited structure, and options have also been provided for the user to upload a structure in PDB format from the client machine. In addition, the server has been interfaced with the molecular viewers Jmol and JSmol to visualize the hydrogen-bond interactions. The proposed server is freely available and accessible via the World Wide Web at http://bioserver1.physics.iisc.ernet.in/hbcs/.

Fast Computing For Lurr Of Earthquake Prediction

The LURR theory is a new approach for earthquake prediction, which achieves good results in earthquake prediction within the China mainland and regions in America, Japan and Australia. However, the expansion of the prediction region leads to the refinement of its longitude and latitude, and the increase of the time period. This requires increasingly more computations, and the volume of data reaches the order of GB, which will be very difficult for a single CPU. In this paper, a new method was introduced to solve this problem. Adopting the technology of domain decomposition and parallelizing using MPI, we developed a new parallel tempo-spatial scanning program.