Info_Cal: Info_cal
In JustinZZW/LipLibBuild: LipLibBuild
Description
Usage
Arguments
Value
Author(s)
Description
calculate formula, exact mass, and charge
Usage
1
Arguments
raw.data
The smiles structure as vector format.
is.output
Whether output the csv file? The default is TRUE.
output.address
The output address of csv file. The default is NULL.
Value
a matrix (n*3) including formula, exact mass, and charge
Author(s)
Zhiwei Zhou
zhouzw@sioc.ac.cn
JustinZZW/LipLibBuild documentation built on May 28, 2019, 12:56 p.m.
R Package Documentation
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Description Usage Arguments Value Author(s)
Description
calculate formula, exact mass, and charge
Usage
1 |
Arguments
raw.data |
The smiles structure as vector format. |
is.output |
Whether output the csv file? The default is TRUE. |
output.address |
The output address of csv file. The default is NULL. |
Value
a matrix (n*3) including formula, exact mass, and charge
Author(s)
Zhiwei Zhou zhouzw@sioc.ac.cn
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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