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MolSSI
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mmelemental
Python implementation of the MMSchema specification. Provides fundamental models for molecular mechanics.
https://molssi.github.io/mmelemental
BSD 3-Clause "New" or "Revised" License
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Support for multi-conformational molecules
#6
anabiman
opened
3 years ago
1
Writing .gro file with mmic_parmed
#5
anabiman
closed
3 years ago
1
Refactor Molecule.to_file()
#4
anabiman
closed
3 years ago
1
added Trajectory model + refactored code
#3
anabiman
closed
3 years ago
9
Support for Trajectories
#2
anabiman
opened
4 years ago
3
Implementing MDAnalysis converters
#1
IAlibay
closed
3 years ago
5