This year’s AZ BioPhest Meeting will be hosted by the Center for Biological Physics at ASU. Presentations from graduate students and postdocs, and also from researchers from biology and bioengineering whose interests overlap with biological physics, are especially welcome.
GromacsWrapper is a python package that allows one to call the standard Gromacs tools in Python scripts. It is object-oriented and encourages code reuse and is therefore suitable for scripting complex work flows for setting up or analyzing Gromacs MD simulations.
MDAnalysis is an open source, versatile, object-oriented Python library for analyzing molecular dynamics trajectories. It makes it easy to access trajectory data from Python code by interfacing trajectory readers (and writers) with NumPy arrays and to select atoms via a expressive selection syntax. The CHARMM/NAMD, Amber, Gromacs trajectory formats are all supported as well as PDB, GRO, CRD, PQR, and a range of others.
Dr. E. J. Norminton on
Oliver Beckstein onOliver Beckstein onOliver Beckstein on
