Description Usage Arguments Value Author(s) See Also
fp.read
reads in a set of fingerprints from a file. Fingerprint
output from the CDK, MOE and BCI can be handled.
Each fingerprint is represented as a fingerprint
object.
fp.read
returns a list
structure, each element being a
fingerprint
or nfeatvec
object, depending on the value
of the binary
argument.
fp.read.to.matrix
is a utility function that reads the fingerprints directly to
matrix form (columns are the bit positions and the rows are the objects whose fingerprints
have been evaluated). Note that this method does not currently work with feature vector
fingerprints.
1 2 |
f |
File containing the fingperprints |
size |
The bit length of the fingerprints being considered |
lf |
A line reading function that parses a single line from a fingerprint file. A number of functions are provided that parse the fingerprints from the output of the CDK, MOE and the BCI toolkit. In addition, support is now available for the FPS format from the chemfp project (http://code.google.com/p/chem-fingerprints). |
header |
Indicates whether the first line of the fingerprint file is a header line |
binary |
If |
A list
or matrix
of fingerprints
Rajarshi Guha rajarshi.guha@gmail.com
cdk.lf
,
moe.lf
,
bci.lf
,
ecfp.lf
,
fps.lf
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