Tools por MD post-processing
Project description
mdtoolbelt
Tools por MD post-processing
Important: PIP only installs the package. All the dependencies must be installed separately. To perform a complete installation, please use ANACONDA.
Conversions
Convert structure and trajectory files from one format to another
Python
from mdtoolbelt.conversions import convert
convert(input_trajectory_filename='trajectory.xtc', output_trajectory_filename='trajectory.dcd')
Bash
mdtb convert -it trajectory.xtc -ot trajectory.dcd
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mdtoolbelt-0.0.1.tar.gz
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