molssi-seamm/molsystem
Molsystem provides a general class for handling molecular and periodic systems
PythonLGPL-3.0
Issues
- 0
Issue with symmetry and 1/3, 2/3
#72 opened by paulsaxe - 1
- 0
fromSMILES ignores charges
#37 opened by paulsaxe - 0
Crash due to formal_charge already defined
#35 opened by paulsaxe - 0
Incorrect PDB file written for atoms.
#33 opened by paulsaxe - 0
Writing XYZ file gives all coordinates as zero.
#23 opened by paulsaxe - 0
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