From 4b9e3303b895467988541ea2def0253c48b6a469 Mon Sep 17 00:00:00 2001 From: CalCraven Date: Thu, 14 Sep 2023 11:44:54 +0100 Subject: [PATCH] Added extensions to savers doc string --- mbuild/compound.py | 4 +++- mbuild/conversion.py | 4 +++- 2 files changed, 6 insertions(+), 2 deletions(-) diff --git a/mbuild/compound.py b/mbuild/compound.py index 193b54ad4..7aed84c34 100644 --- a/mbuild/compound.py +++ b/mbuild/compound.py @@ -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 savers. show_ports : bool, optional, default=False Save ports contained within the compound. forcefield_files : str, optional, default=None diff --git a/mbuild/conversion.py b/mbuild/conversion.py index e27c01951..2263d6c0e 100644 --- a/mbuild/conversion.py +++ b/mbuild/conversion.py @@ -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