.. index:: pair: namespace; bond .. _doxid-namespacebond: namespace bond ============== .. toctree:: :hidden: Overview ~~~~~~~~ Functions for bond-related analyses. :ref:`More...` .. _details-namespacebond: Detailed Documentation ~~~~~~~~~~~~~~~~~~~~~~ Functions for bond-related analyses. This namespace contains functions that are used for determining the hydrogen bonds, or lists of bonded atoms for write-outs to data files and visualization. These functions are distinct from the neighbour-list building functions. Bonds can be built from cages, ring lists etc. Hydrogen bonds are determined using a strict geometric criterion. A hydrogen bond between two water molecules exists when: #. The distance between the donor oxygen atom and the acceptor hydrogen atom is less than 2.42 Angstrom #. The angle between the O O vector and the O-H vector should be less than 30 degrees .. _doxid-namespacebond_1autotoc_md0_1s1: .. _doxid-namespacebond_1autotoc_md0_1s2: .. _doxid-namespacebond_1autotoc_md0: Changelog +++++++++ * Amrita Goswami [`amrita16thaug646@gmail.com `__]; date modified: Nov 13, 2019 * Rohit Goswami [`rog32@hi.is `__]; date modified: Mar 20, 2021