fp.read

fp.read.to.matrix

The bit length of the fingerprints being considered

size

A line reading function that parses a single line from
    a fingerprint file. Currently, three such functions are provided
    that parse the fingerprints from the output of the CDK, MOE and the
    BCI toolkit,  respectively.

Indicates whether the first line of the fingerprint file is
    a header line

header

<code>fp.read</code> 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 <code>fingerprint</code> object.
<code>fp.read</code> returns a <code>list</code> structure, each element being a
<code>fingerprint</code> object.<code>fp.read.to.matrix</code> 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)

logic

fp.read, fp.read.to.matrix

This package contains functions to manipulate binary fingerprints
 of arbitrary length. A fingerprint is represented by an object of S4 class 'fingerprint'
 which is internally represented a vector of integers, such
 that each element represents the position in the fingerprint that is set to 1.
 The bitwise logical functions in R are overridden so that they can be used directly
 with 'fingerprint' objects. Distances  metrics are also available. Fingerprints 
 can be converted to Euclidean vectors (i.e., points on the unit hypersphere)i and
 can also be folded using XOR.  Arbitrary fingerprint formats can be handled via line
 handlers. Currently handlers are provided for CDK, MOE and BCI fingerprint data.

fp.read, fp.read.to.matrix: Functions to Read Fingerprints From Files

Description

Usage

Arguments

Value

See Also