allpy: 74e472e8da6c allpy/config.py

allpy

structure: set_pdb_chain() allows 2 mutations in pdb sequence

author	boris (kodomo) <bnagaev@gmail.com>
date	Thu, 17 Mar 2011 17:03:27 +0300
parents	27e866560087
children	7eeae2471e69

line source

1 delta = 2.0 # for geometrical core building

2 minsize = 20 # min size of returning cores

3 maxabsent = 0.15 # deprecated?

4 max_mutations = 2

6 # pdb download url (XXXX is pdb code place)

7 pdb_url = 'http://www.pdb.org/pdb/files/%s.pdb'

8 pdb_path = '/tmp/%s.pdb'

9 timeout = 10 # time in sec. for BRON-KERBOSH algorithm

12 # min part or new atoms in new alternative core

13 ac_new_atoms = 0.5

15 # max number of cores (including main core)

16 ac_count = 5

18 # blocks3d

19 min_width = 3

20 timeout_2 = 10 # bron-kerbosh for blocks