dwnld_mol: Download molecule structure
In awqx/qsarr: Useful Functions for Building a QSAR in R
Description
Usage
Arguments
Value
Description
dwnld_mol queries the NCI Chemical Identifier Resolver for a structure file
corresponding to the name given. The file is saved in the directory provided
as the path. The Chemical Identifier Resolver can be found at
https://cactus.nci.nih.gov/chemical/structure.
Usage
1
dwnld_mol(mol, path, file_format = "SDF")
Arguments
mol
Name of molecule
path
Name of directory to save file
file_format
Type of file to download, default of "SDF". The full list
of possible formats can be found in the Chemical Identifier Resolver.
Value
The function returns a data frame row corresponding to whether a file
downloaded, received a warning, or received an error.
awqx/qsarr documentation built on Oct. 2, 2021, 7:05 a.m.
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Description Usage Arguments Value
Description
dwnld_mol queries the NCI Chemical Identifier Resolver for a structure file
corresponding to the name given. The file is saved in the directory provided
as the path. The Chemical Identifier Resolver can be found at
https://cactus.nci.nih.gov/chemical/structure.
Usage
1 | dwnld_mol(mol, path, file_format = "SDF")
|
Arguments
mol |
Name of molecule |
path |
Name of directory to save file |
file_format |
Type of file to download, default of "SDF". The full list of possible formats can be found in the Chemical Identifier Resolver. |
Value
The function returns a data frame row corresponding to whether a file downloaded, received a warning, or received an error.
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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