/usr/include/BALL/STRUCTURE/structure.doc is in libball1.4-dev 1.4.3~beta1-4.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 | // -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
/** \defgroup Structure Molecular Structure
\ingroup Modeling
This chapter contains all relevant information on
BALL classes related to the exploration of molecular
structure and geometry.
*/
/** \defgroup StructureRotamers Rotamers
\ingroup Structure
*/
/** \defgroup RDF Radial Distribution Functions
* \ingroup Structure
*/
/** \defgroup Surface Molecular Surface Computation
* \ingroup Structure
*/
/** \defgroup StructureMiscellaneous Miscellaneous
\ingroup Structure
*/
/** \defgroup StructurePeptideBuilder Creation of peptides
\ingroup Structure
*/
/** \defgroup StructureMatching Matching of submolecular structures
\ingroup Structure
*/
/** \defgroup StructureMapping Mapping of molecular structures
\ingroup Structure
*/
/** \defgroup StructureGeometric Geometric property processors.
The applicators, processors, and collectors described in
this chapter are used to extract geometric properties out
of a given molecular object or to extract parts of these
objects according to their geometric properties. \par
Using the \link BoundingBoxProcessor BoundingBoxProcessor \endlink , the bounding box
of a given molecular object can be calculated. The bounding box is
represented by the lowest and highest coordinates occuring in the
molecular object, i.e. the bounding box is the smallest rectangular
box (with sides parallel to the coordinate axes) that encloses all
atoms in the molecular object. \par
The \link GeometricCenterProcessor GeometricCenterProcessor \endlink calculates the geometric
center of all atoms contained in the molecular object it is applied to. \par
With the aid of the \link FragmentDistanceCollector FragmentDistanceCollector \endlink it is possible
to collect all molecular fragments that are within a given distance
from a certain fragment. This is useful to extract the relevant molecular
environment (e.g. to examin a binding site). \par
\ingroup Structure
*/
/** \defgroup Docking Docking of molecular structures
\ingroup Structure
*/
|