NAME

InSilicoSpectro::InSilico::IsoelPoint - A class for peptide isoelectric point (pI) prediction

SYNOPSIS

  use InSilicoSpectro::InSilico::IsoelPoint;

  # create a isoelectric point predictor
  my $pi = InSilicoSpectro::InSilico::IsoelPoint->new;

  # predict isoelectric point for a peptide
  $pi->predict( peptide=>'ACFGDMKWVTFISLLRPLLFSSAYSRGVFRRDTHKSEIAHRFKDLGE' );

  # calibrate the predictor
  $pi->calibrate( data=>{calseqs=>\@calseqs,caltimes=>\@caltimes,calmodifs=>\@calmodifs},calibrator=>$ec );

DESCRIPTION

InSilicoSpectro::InSilico::IsoelPoint is a class for predicting the isoelectric point of peptides. It gives also a method for calibration of the predictor.

METHODS

my $pi=InSilicoSpectro::InSilico::IsoelPoint->new($h)

$h contains a hash with parameters.

$pi->predict($point)

Predict the isoelectric point.

$pi->calibrate(%h)

Calibrate the predictor.

$pi->write_cal( calfile=>$file );

Save current calibrator.

$pi->read_cal ( calfile=>$file );

Retrieve a previously saved calibrator.

$pi->set($name, $val)

Set an instance parameter.

$ip->get($name)

Get an instance parameter.

FUNCTIONS

getAuthorList($method)

Returns a pointer to an array of available authors param set for a given method (such as as 'iterative')

EXAMPLES

see InSilicoSpectro/t/InSilico/testIsoelPoint.pl script

SEE ALSO

InSilicoSpectro::InSilico::ExpCalibrator

InSilicoSpectro::InSilico::RetentionTimer

COPYRIGHT

Copyright (C) 2004-2005 Geneva Bioinformatics www.genebio.com

This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version.

This library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details.

You should have received a copy of the GNU Lesser General Public License along with this library; if not, write to the Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA

AUTHORS

Pablo Carbonell, Alexandre Masselot, www.genebio.com