read.gro: Read gro file
In SOMMD: Self Organising Maps for the Analysis of Molecular Dynamics Data
read.gro 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
SOMMD documentation built on Oct. 2, 2024, 5:07 p.m.
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| read.gro | 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
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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