Esra is a pure Java library for the interactive analysis of molecular mechanics data.
Esra is a lean and mean library of portable, flexible, generic, object-oriented (sometimes), functional (some other times), scriptable, well-tested (we hope), statically-typed (sometimes), dynamically-typed (again, some other times), XML-based (well, actually not) and reasonably high-performance routines (both basic and more advanced) for the analysis of molecular mechanics data (GROMOS96 molecular dynamics trajectories, mostly).
Esra is strictly optimized for fun. The development process is open and informal.
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Here are some key features of "Esra":
· portable and scriptable
· surprisingly fast
· clever, watertight argument parsing library.
· 100 % pure java linear algebra library for convenient vector/matrix manipulations.
· common coordinate transformations, such as gathering, fitting.
· simple, hierarchical selection language (AtomSpecifiers)
· common analyses such as RMSDs, dipole moments, radii of gyration, hydrogen bonding, dssp secondary structure assignment.
· thorough API documentation, simple, flat data structures, generic algorithms, unit testing (still in the works).
· it's free and open.
Requirements:
· Java Environment
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