allpy
view README.devel @ 889:32808e442d93
Geometrical core improvement: ignore cores, owned by one SS element
* add argument ignore_one_ss to geometrical_cores() method (=True)
* add argument ignore_one_ss to other methods of structure,
calling geometrical_cores() (=True)
* add command line option to blocks3d, geometrical_core, pair_cores (=False)
* remove xyz_only=True from pair_cores, since secondary structure determiner
needs structures to be loaded
This have not been tested!
close #119
| author | Boris Nagaev <bnagaev@gmail.com> |
|---|---|
| date | Sun, 18 Sep 2011 16:32:59 +0400 |
| parents | b87eb91bd929 |
| children |
line source
1 Using library in-place
2 ======================
4 To use the library in-place, without installing, you have to add it's
5 directory to PYTHONPATH.
7 e.g, type this in your shell::
9 export PYTHONPATH=`pwd`
11 alternatively, you can type::
13 . ./SETPATH
15 which adds the right path to PYTHONPATH and also adds 'utils' directory
16 to PATH.
18 NEWS file
19 =========
21 NEWS file contains news that are important to the library users, not to the
22 devels. It must contain a word abot every change in any interfaces. It may
23 contain a word about bugfix, if that bugfix was important and could cause users
24 some grief. It must not contain anything else.
26 The file grows upwards (like blog, so that all the most important things are at
27 the top, like)
29 Example file format::
31 1.3.1 (2011-05-01)
32 * bugfix: the Moon was going to fall
34 1.3.0 (2011-04-15)
36 * new: new feature description
37 * new: new feature description
38 * change(!): critical library interface change
39 * change: change in the library interface
40 * bugfix: short bug summary, see #ticket
41 * bugfix: important bug that could destroy the Earth but did not hit trac