Trim a MOL2 Object To A Subset of Atoms.
Produce a new smaller MOL2 object, containing a subset of atoms, from a given larger MOL2 object.
## S3 method for class 'mol2' trim(mol, ..., inds = NULL)
mol |
a MOL2 structure object obtained from
|
... |
additional arguments passed to |
inds |
a list object of ATOM and XYZ indices as obtained from
|
This is a basic utility function for creating a new MOL2 object based on a selection of atoms.
Returns a list of class "mol2".
Lars Skjaerven
Grant, B.J. et al. (2006) Bioinformatics 22, 2695–2696.
## Not run:
## Read a MOL2 file from those included with the package
mol <- read.mol2( system.file("examples/aspirin.mol2", package="bio3d"))
## Trim away H-atoms
mol <- trim(mol, "noh")
## End(Not run)Please choose more modern alternatives, such as Google Chrome or Mozilla Firefox.