readMolFromSDF: Read Molecules from SDF Files and Return Parsed Java...
In wind22zhu/BioMedR: Generating Various Molecular Representations for Chemicals, Proteins, DNAs, RNAs and Their Interactions
Description
Usage
Arguments
Details
Value
Author(s)
See Also
Examples
Description
Read Molecules from SDF Files and Return Parsed Java Molecular Object
Usage
1
readMolFromSDF(sdffile)
Arguments
sdffile
Character vector, containing SDF file location(s).
Details
This function reads molecules from SDF files and return
parsed Java molecular object needed by extrDrug... functions.
Value
A list, containing parsed Java molecular object.
Author(s)
Min-feng Zhu <wind2zhu@163.com>,
Nan Xiao <http://r2s.name>
See Also
See readMolFromSmi for reading molecules by SMILES
string and returning parsed Java molecular object.
Examples
1
2
3
mol = readMolFromSDF(system.file('compseq/DB00859.sdf', package = 'BioMedR'))
mols = readMolFromSDF(c(system.file('compseq/DB00859.sdf', package = 'BioMedR'),
system.file('compseq/DB00860.sdf', package = 'BioMedR')))
wind22zhu/BioMedR documentation built on Oct. 21, 2019, 12:51 p.m.
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Description Usage Arguments Details Value Author(s) See Also Examples
Description
Read Molecules from SDF Files and Return Parsed Java Molecular Object
Usage
1 | readMolFromSDF(sdffile)
|
Arguments
sdffile |
Character vector, containing SDF file location(s). |
Details
This function reads molecules from SDF files and return
parsed Java molecular object needed by extrDrug... functions.
Value
A list, containing parsed Java molecular object.
Author(s)
Min-feng Zhu <wind2zhu@163.com>, Nan Xiao <http://r2s.name>
See Also
See readMolFromSmi for reading molecules by SMILES
string and returning parsed Java molecular object.
Examples
1 2 3 | mol = readMolFromSDF(system.file('compseq/DB00859.sdf', package = 'BioMedR'))
mols = readMolFromSDF(c(system.file('compseq/DB00859.sdf', package = 'BioMedR'),
system.file('compseq/DB00860.sdf', package = 'BioMedR')))
|
R Package Documentation
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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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