Structuprint: a scalable and extensible tool for two-dimensional representation of protein surfaces.

ABSTRACT:

Background

The term 'molecular cartography' encompasses a family of computational methods for two-dimensional transformation of protein structures and analysis of their physicochemical properties. The underlying algorithms comprise multiple manual steps, whereas the few existing implementations typically restrict the user to a very limited set of molecular descriptors.

Results

We present Structuprint, a free standalone software that fully automates the rendering of protein surface maps, given - at the very least - a directory with a PDB file and an amino acid property. The tool comes with a default database of 328 descriptors, which can be extended or substituted by user-provided ones. The core algorithm comprises the generation of a mould of the protein surface, which is su

SUBMITTER: Kontopoulos DG 

PROVIDER: S-EPMC4765231 | biostudies-literature | 2016 Feb

REPOSITORIES: biostudies-literature