Top Tweets for #pytraj
Molecular Dynamics for beginners using Gromacs. How about running all the MD steps including data analysis on 1 Jupyter Notebook with Python libraries & wrappers @ProjectJupyter @GMX_TWEET @orbeckst @github #NGLView #MDtraj #pytraj
plz share your feedback
https://t.co/5h3rzYJUTM
#pytraj v1.0.9 released (support gromacs xtc format, support Grid Inhomogeneous Solvation Theory Method (GIST)...) https://t.co/j2NidQ2Gm9
Analyze protein folding trajectory with #pytraj #nglview @ProjectJupyter #pandas #matplotlib #mybinder #matplotlib
https://t.co/byu8Z0Ehlq
out-of-core MD simulation trajectory viewer with #pytraj #ngl @ProjectJupyter,~12GB data of DNA in water(not shown)
#pytraj: https://t.co/s2nKdCh9xO
#nglview: https://t.co/v1tNZiczil
#matplotlib
#jupyter #notebook
#animation
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