Nov 262015
 

pmx

:: DESCRIPTION

pmx (formerly pymacs) has started as a small bunch of classes to read structure files such as pdb or gro and trajectory data in gromacs xtc format. Over the years it has been extended towards a versatile (bio-) molecular structure manipulation package with some additional functionalities, e.g. gromacs file parsers and scripts for setup and analysis of free energy calculations.

::DEVELOPER

Daniel Seeliger

:: SCREENSHOTS

N/A

:: REQUIREMENTS

:: DOWNLOAD

pmx

:: MORE INFORMATION

Citation

Biophys J. 2010 May 19;98(10):2309-16. doi: 10.1016/j.bpj.2010.01.051.
Protein thermostability calculations using alchemical free energy simulations.
Seeliger D1, de Groot BL.

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