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"PDB2DAT: Automating LAMMPS data file generation from PDB molecular systems ..."
Eli I. Assaf et al. (2024)
- Eli I. Assaf, Xueyan Liu, Peng Lin, Sandra Erkens:
PDB2DAT: Automating LAMMPS data file generation from PDB molecular systems using Python, Rdkit, and Pysimm. Softw. Impacts 20: 100656 (2024)
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