Class Unselect

Instance Methods

__init__(self, relax)

all(self, run=None)
Function for unselecting all residues.

read(self, run=None, file=None, dir=None, change_all=0)
Function for unselecting the residues contained in a file.

res(self, run=None, num=None, name=None, change_all=0)
Function for unselecting specific residues.

reverse(self, run=None)
Function for the reversal of the residue selection.

Method Details

all(self, run=None)

Function for unselecting all residues.

Keyword Arguments
~~~~~~~~~~~~~~~~~

run:  The name of the run(s).  By supplying a single string, array of strings, or None, a
single run, multiple runs, or all runs will be selected respectively.


Examples
~~~~~~~~

To unselect all residues type:

relax> unselect.all()


To unselect all residues for the run 'srls_m1', type:

relax> select.all('srls_m1')
relax> select.all(run='srls_m1')

read(self, run=None, file=None, dir=None, change_all=0)

Function for unselecting the residues contained in a file.

Keyword Arguments
~~~~~~~~~~~~~~~~~

run:  The name of the run(s).  By supplying a single string, array of strings, or None, a
single run, multiple runs, or all runs will be selected respectively.

file:  The name of the file containing the list of residues to unselect.

dir:  The directory where the file is located.

change_all:  A flag specifying if all other residues should be changed.


Description
~~~~~~~~~~~

The file must contain one residue number per line.  The number is taken as the first column
of the file and all other columns are ignored.  Empty lines and lines beginning with a hash
are ignored.

The 'change_all' flag argument default is zero meaning that all residues currently either
selected or unselected will remain that way.  Setting the argument to 1 will cause all
residues not specified in the file to be selected.


Examples
~~~~~~~~

To unselect all overlapped residues in the file 'unresolved', type:

relax> unselect.read('noe', 'unresolved')
relax> unselect.read(run='noe', file='unresolved')

res(self, run=None, num=None, name=None, change_all=0)

Function for unselecting specific residues.

Keyword Arguments
~~~~~~~~~~~~~~~~~

run:  The name of the run(s).  By supplying a single string, array of strings, or None, a
single run, multiple runs, or all runs will be selected respectively.

num:  The residue number.

name:  The residue name.

change_all:  A flag specifying if all other residues should be changed.


Description
~~~~~~~~~~~

The residue number can be either an integer for unselecting a single residue or a python
regular expression, in string form, for unselecting multiple residues.  For details about
using regular expression, see the python documentation for the module 're'.

The residue name argument must be a string.  Regular expression is also allowed.

The 'change_all' flag argument default is zero meaning that all residues currently either
selected or unselected will remain that way.  Setting the argument to 1 will cause all
residues not specified by 'num' or 'name' to become selected.


Examples
~~~~~~~~

To unselect all glycines for the run 'm5', type:

relax> unselect.res(run='m5', name='GLY|ALA')
relax> unselect.res(run='m5', name='[GA]L[YA]')

To unselect residue 12 MET type:

relax> unselect.res('m5', 12)
relax> unselect.res('m5', 12, 'MET')
relax> unselect.res('m5', '12')
relax> unselect.res('m5', '12', 'MET')
relax> unselect.res(run='m5', num='12', name='MET')

reverse(self, run=None)

Function for the reversal of the residue selection.

Keyword Arguments
~~~~~~~~~~~~~~~~~

run:  The name of the run(s).  By supplying a single string, array of strings, or None, a
single run, multiple runs, or all runs will be selected respectively.


Examples
~~~~~~~~

To unselect all currently selected residues and select those which are unselected type:

relax> unselect.reverse()