science/maeparser 1.3.3_3 FreeBSD

maeparser is a C++ library developed by Schrodinger for efficiently and losslessly parsing Maestro files, which serve as Schrodinger's primary output format for storing molecular structures and data. This parser is crucial for any software package needing to interact with Schrodinger's physics-based modeling outputs.

It supports various applications in computational chemistry, including molecular dynamics, ligand-protein docking, and quantum mechanics. The library utilizes a recursive descent approach, prioritizing parsing speed to ensure quick and accurate extraction of data from .mae, .maegz, and .mae.gz structure files. These files can contain multiple structures, delimited by "f_m_ct", with standard block and property names defined in MaeConstants.hpp.