''' Chengxin's own python/shell scripts repository. All scripts are licensed under LGPL v2+. All scripts can be directly called by command line. When launched without argument, a short documentation ...
python single_protein_simulation.py protein.pdb -n my_sim -t 100 -T 310 python single_protein_simulation.py protein.pdb --forcefield ff14SB --water tip3p ...
The Brookhaven Protein Data Bank was once a pioneering database, but its organization of structural data is now outdated and in need of an upgrade. Although structural biology was once a leader in ...
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