writeMol2 (
models,
fileName,
status=None,
anchor=None,
relModel=None,
hydNamingStyle="sybyl",
multimodelHandling="individual",
gaffType=False,
)
Write a Mol2 file.
models are the models to write out into a file named fileName.
-
status, if not None, is a function that takes a string
- used
to report the progress of the write.
anchor is a selection (i.e. instance of a subclass of
chimera.selection.Selection) containing atoms/bonds that should
be written out to the @SETS section of the file as the rigid
framework for flexible ligand docking.
hydNamingStyle controls whether hydrogen names should be
"Sybyl-like" (value: sybyl) or "PDB-like" (value: pdb)
-- e.g. HG21 vs. 1HG2.
multimodelHandling controls whether multiple models will be
combined into a single @MOLECULE section (value: combined) or
each given its own section (value: individual).
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