allpy
annotate test/test.py @ 481:b92cad794578
allpy/structure: remove Sequence.pdb_residues, add Monomer.pdb_residue
Information from aequence.pdb_residues[monomer] is
now available in monomer.pdb_residue
| author | boris (netbook) <bnagaev@gmail.com> |
|---|---|
| date | Fri, 18 Feb 2011 18:48:37 +0300 |
| parents | 73f9779491ef |
| children |
| rev | line source |
|---|---|
| bnagaev@98 | 1 import sys |
| bnagaev@83 | 2 |
| me@191 | 3 from allpy.alignment import Alignment |
| me@191 | 4 from allpy.block import Block |
| bnagaev@83 | 5 |
| bnagaev@175 | 6 p = Alignment(open('test.fasta')) |
| bnagaev@83 | 7 print "alignment length: %i" % len(p) |
| bnagaev@110 | 8 print "sequence: %s" % str(p.sequences[0]) |
| bnagaev@83 | 9 |
| bnagaev@120 | 10 p.sequences[0].pdb_chain_add(open('1jcc.pdb'), '1jcc', 'B') |
| bnagaev@120 | 11 p.sequences[1].pdb_chain_add(open('1kfm.pdb'), '1kfm', 'A') |
| bnagaev@120 | 12 |
| bnagaev@121 | 13 b = Block(p) |
| bnagaev@130 | 14 GCs = b.geometrical_cores(ac_new_atoms=0.00, ac_count=-1) |
| bnagaev@128 | 15 b.save_fasta(sys.stdout) |
| bnagaev@134 | 16 for i, GC in enumerate(GCs): |
| bnagaev@134 | 17 GC.save_xstring(sys.stdout, i) |
| bnagaev@121 | 18 |
| dendik@406 | 19 #~ alignment.process(processors.Muscle()) |
| bnagaev@110 | 20 #~ p.save_fasta(sys.stdout) |