Module captermini

Module for capping uncapped terminal residues in a protein structure by adding NME or ACE caps as appropriate.

Usage: capped_st = cap_termini(input_st)

Classes

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CapTermini

Functions

[hide private]

count_atom_hbonds(st, atom)
Return the number of hydrogens bonds that the given atom is involved in.

res_can_be_capped(res)
Determines whether a fragment is able to be capped.

_increment_inscode(inscode)
Returns next inscode above <inscode>

cap_termini(st)
Cap the termini on the specified st Function interface for CapTermini class

Variables

[hide private]

__doc__ = ...

INSCODES = [' ', 'A', 'B', 'C', 'D', 'E', 'F', 'G', 'H', 'I', ...

CAPBOTH = 3
hash(x)

CAPC = 1

CAPN = 2

DONTCAP = 0
hash(x)

__package__ = 'schrodinger.protein'

Function Details

[hide private]

res_can_be_capped(res)

Determines whether a fragment is able to be capped. Returns CAPN if specified residue can be N-capped, CAPC if C-capped; DONTCAP if it can't be capped.

Variables Details

[hide private]

doc

Value:

"""
Module for capping uncapped terminal residues in a protein structure b
y
adding NME or ACE caps as appropriate.

Usage: capped_st = cap_termini(input_st)

Copyright Schrodinger, LLC. All rights reserved.
...

INSCODES

Value:

[' ',
 'A',
 'B',
 'C',
 'D',
 'E',
 'F',
 'G',
...