allpy
changeset 1148:7c0559e23b4e
structure: put comment about commen 'by_block' to output pymol file
| author | Boris Nagaev <bnagaev@gmail.com> |
|---|---|
| date | Mon, 14 Jan 2013 05:07:37 +0400 |
| parents | ab57c49e39fc |
| children | f780b7ba75c6 |
| files | allpy/structure.py |
| diffstat | 1 files changed, 2 insertions(+), 0 deletions(-) [+] |
line diff
1.1 --- a/allpy/structure.py Mon Jan 14 04:31:05 2013 +0400 1.2 +++ b/allpy/structure.py Mon Jan 14 05:07:37 2013 +0400 1.3 @@ -552,6 +552,8 @@ 1.4 {'resi': ','.join(intervals), 'seq': sequence_line(s)} 1.5 FITTABLE = " and name ca and alt a+''" 1.6 pdbs = set(sequence_to_pdb(s) for s in self.sequences) 1.7 + file.write('# Command "by_block X" is defined to superimpose block X\n') 1.8 + file.write('\n') 1.9 for pdb in pdbs: 1.10 file.write("fetch %(pdb)s, async=0\n" % {'pdb': pdb}) 1.11 for s in self.sequences: