read.gro {SOMMD} | R Documentation |
Read gro file
Description
Function to read gro files
Usage
read.gro(file)
Arguments
file |
contains the name and the path to the gro file to be read |
Value
Returns a list of class "gro" with the following components:
atom |
a data frame containing all atomic coordinate with a row per atom and a column per record type. |
xyz |
a numeric matrix of class "xyz" containing the atomic coordinate data. |
box |
a vector of box size. |
call |
the matched call. |
Author(s)
Stefano Motta stefano.motta@unimib.it
[Package SOMMD version 0.1.2 Index]