molecular_input_multiple: Moleculors multiple input file loader.
In FedericoViv/Moleculors:
View source: R/Molecular_Input_v01.R
Description
This function take a csv file containing 4 colums:
atom symbol, X,Y,Z. Any difference will be detected as
an error or warning depending on the situation. NOTE: the input
coordinates are supposed to be the optimized coordinates of the
target molecule! If this requirement is not fullfilled any descriptor
will not be related to the topological property at all.
Usage
1
Examples
1
FedericoViv/Moleculors documentation built on Jan. 17, 2022, 12:23 a.m.
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.
View source: R/Molecular_Input_v01.R
Description
This function take a csv file containing 4 colums: atom symbol, X,Y,Z. Any difference will be detected as an error or warning depending on the situation. NOTE: the input coordinates are supposed to be the optimized coordinates of the target molecule! If this requirement is not fullfilled any descriptor will not be related to the topological property at all.
Usage
1 |
Examples
1 |
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.
Embedding an R snippet on your website
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.