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Added extensions to savers doc string #1146

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Sep 26, 2023
Merged

Added extensions to savers doc string #1146

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4b9e330
Added extensions to savers doc string
CalCraven Sep 14, 2023
74f6c88
Update mbuild/compound.py
daico007 Sep 22, 2023
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4 changes: 3 additions & 1 deletion mbuild/compound.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2890,7 +2890,9 @@ def save(
filename : str
Filesystem path in which to save the trajectory. The extension or
prefix will be parsed and control the format. Supported extensions:
'hoomdxml', 'gsd', 'gro', 'top', 'lammps', 'lmp', 'mcf'
'hoomdxml', 'gsd', 'gro', 'top', 'lammps', 'lmp', 'mcf', 'pdb', 'xyz',
'json', 'mol2', 'sdf', 'psf'. See parmed/structure.py for more
information on savers.
show_ports : bool, optional, default=False
Save ports contained within the compound.
forcefield_files : str, optional, default=None
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4 changes: 3 additions & 1 deletion mbuild/conversion.py
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Original file line number Diff line number Diff line change
Expand Up @@ -978,7 +978,9 @@ def save(
filename : str
Filesystem path in which to save the trajectory. The extension or prefix
will be parsed and control the format. Supported extensions are:
'hoomdxml', 'gsd', 'gro', 'top', 'lammps', 'lmp', 'mcf'.
'hoomdxml', 'gsd', 'gro', 'top', 'lammps', 'lmp', 'mcf', 'xyz', 'pdb',
'sdf', 'mol2', 'psf'. See parmed/structure.py for more information on
savers.
show_ports : bool, optional, default=False
Save ports contained within the compound.
forcefield_files : str, optional, default=None
Expand Down
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