allpy: 8565652a4019 lib/config.py

allpy

geometrical_core: parser completed

line source

1 delta = 2.0 # for geometrical core building

2 minsize = 20 # min size of returning cores

3 maxabsent = 0.15 # deprecated?

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

6 pdb_url = 'http://www.pdb.org/pdb/files/XXXX.pdb'

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

10 # min part or new atoms in new alternative core

11 ac_new_atoms = 0.5

13 # max number of cores (including main core)

14 ac_count = 5