allpy
changeset 588:7a72febf12f6
structure.py: add min_core_size parameter to pair_core_parts()
min_core_size is size of entire core
min_width is size of continuous part of it
| author | boris (kodomo) <bnagaev@gmail.com> |
|---|---|
| date | Sat, 26 Mar 2011 01:13:56 +0300 |
| parents | 6a50c2042d0e |
| children | ab37134638b4 |
| files | allpy/config.py allpy/structure.py |
| diffstat | 2 files changed, 5 insertions(+), 2 deletions(-) [+] |
line diff
1.1 --- a/allpy/config.py Sat Mar 26 01:09:05 2011 +0300 1.2 +++ b/allpy/config.py Sat Mar 26 01:13:56 2011 +0300 1.3 @@ -8,6 +8,8 @@ 1.4 min_match = 5 1.5 max_waste_in_pdb = 5 1.6 1.7 +min_core_size = 10 1.8 + 1.9 # pdb download url (XXXX is pdb code place) 1.10 pdb_url = 'http://www.pdb.org/pdb/files/%s.pdb' 1.11 pdb_path = '/tmp/%s.pdb'
2.1 --- a/allpy/structure.py Sat Mar 26 01:09:05 2011 +0300 2.2 +++ b/allpy/structure.py Sat Mar 26 01:13:56 2011 +0300 2.3 @@ -375,7 +375,8 @@ 2.4 return GCs 2.5 2.6 def pair_core_parts(self, max_delta=config.delta, 2.7 - timeout=config.timeout, min_width=config.min_width): 2.8 + timeout=config.timeout, min_width=config.min_width, 2.9 + min_core_size=config.min_core_size): 2.10 """ Return list of continuous parts of gc for each sequence pair 2.11 2.12 part is block 2.13 @@ -388,7 +389,7 @@ 2.14 block = copy(self) 2.15 block.sequences = [seq1, seq2] 2.16 cores = block.geometrical_cores(max_delta=max_delta, 2.17 - timeout=timeout, minsize=min_width, 2.18 + timeout=timeout, minsize=min_core_size, 2.19 ac_new_atoms=0.0, ac_count=0) 2.20 for core in cores: 2.21 core_block = copy(block)
