Class Selection

Instance Methods

__init__(self, relax)
Base class containing functions for the manipulation of residue selection.

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

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

sel_read(self, run=None, file=None, dir=None, boolean='OR', change_all=0, column=None)
Select the residues contained in the given file.

sel_res(self, run=None, num=None, name=None, boolean='OR', change_all=0)
Select specific residues.

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

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

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

Method Details

sel_read(self, run=None, file=None, dir=None, boolean='OR', change_all=0, column=None)

Select the residues contained in the given file.

Parameters:

• run (str) - The run name.
• file (str) - The name of the file.
• dir (str) - The directory containing the file.
• boolean (str) - The boolean operator used to select the spin systems with. It can be one of 'OR', 'NOR', 'AND', 'NAND', 'XOR', or 'XNOR'.
• change_all (int) - A flag which if set will set the selection to solely those of the file.
• column (int) - The whitespace separated column in which the residue numbers are located.

sel_res(self, run=None, num=None, name=None, boolean='OR', change_all=0)

Select specific residues.

Parameters:

• run (str) - The run name.
• num (int or regular expression str) - The residue number.
• name (regular expression str) - The residue name.
• boolean (str) - The boolean operator used to select the spin systems with. It can be one of 'OR', 'NOR', 'AND', 'NAND', 'XOR', or 'XNOR'.
• change_all (int) - A flag which if set will set the selection to solely those residues specified.