MONSTER: inferring non-covalent interactions in macromolecular structures from atomic coordinate data.

Abstract

A web application for inferring potentially stabilizing non-bonding interactions in macromolecular structures from input atomic coordinate data is described. The core software, called Monster, comprises a PERL wrapper that takes advantage of scripts developed in-house as well as established software in the public domain to validate atomic coordinate files, identify interacting residues and assign the nature of these interactions. The results are assembled and presented in an intuitive and interactive graphical format. Potential applications of Monster range from mining and validating experimentally determined structures to guiding functional analysis. Non-commercial users can perform Monster analysis free of charge at http://monster.northwestern.edu.