OpenStructure
 All Data Structures Namespaces Files Functions Variables Typedefs Enumerations Enumerator Properties Friends Macros Groups Pages
Data Structures | Functions
ost.bindings.hbplus Namespace Reference

Data Structures

class  HBond
 

Functions

def HBondList
 
def HBondScore
 

Detailed Description

Interface to HB+ command line program

Author: Marco Biasini

Function Documentation

def ost.bindings.hbplus.HBondList (   ent,
  hbplus_bin = None 
)
returns a list of HBonds found in the given entity (handle or view)

Definition at line 59 of file hbplus.py.

def ost.bindings.hbplus.HBondScore (   ent1,
  ent2,
  hbplus_bin = None 
)
returns percentage of hydrogen bonds in ent1 that are also present in ent2 in
the range of 0 to 1.

this function is slow as hell, and could be improved drastically by first
sorting the hydrogen bond lists by donor residue number.

Definition at line 81 of file hbplus.py.