From 709014a6632520c9492c7285d886d89dd581c673 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Thu, 12 Oct 2023 22:40:30 +0200 Subject: [PATCH] make unite_chains True in parseMMCIFStream --- prody/proteins/ciffile.py | 13 +++++-------- 1 file changed, 5 insertions(+), 8 deletions(-) diff --git a/prody/proteins/ciffile.py b/prody/proteins/ciffile.py index 7b0ad1ae3..a9df3ecdb 100644 --- a/prody/proteins/ciffile.py +++ b/prody/proteins/ciffile.py @@ -55,6 +55,10 @@ class MMCIFParseError(Exception): alternate locations will be parsed and each will be appended as a distinct coordinate set, default is ``"A"`` :type altloc: str + + :arg unite_chains: unite chains with the same segment name + Default is *False* + :type unite_chains: bool """ _PDBSubsets = {'ca': 'ca', 'calpha': 'ca', 'bb': 'bb', 'backbone': 'bb'} @@ -71,13 +75,6 @@ def parseMMCIF(pdb, **kwargs): :arg pdb: a PDB identifier or a filename If needed, mmCIF files are downloaded using :func:`.fetchPDB()` function. :type pdb: str - - :arg chain: comma separated string or list-like of chain IDs - :type chain: str, tuple, list, :class:`~numpy.ndarray` - - :arg unite_chains: unite chains with the same segment name - Default is *False* - :type unite_chains: bool """ chain = kwargs.pop('chain', None) segment = kwargs.pop('segment', None) @@ -163,7 +160,7 @@ def parseMMCIFStream(stream, **kwargs): subset = kwargs.get('subset') chain = kwargs.get('chain') segment = kwargs.get('segment') - unite_chains = kwargs.get('unite_chains') + unite_chains = kwargs.get('unite_chains', True) altloc = kwargs.get('altloc', 'A') header = kwargs.get('header', False) assert isinstance(header, bool), 'header must be a boolean'