/usr/share/pyshared/Scientific/IO/PDBExportFilters.py is in python-scientific 2.8-4.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 | # Export filters for PDB output.
#
#
# A convenient base class...
#
class PDBExportFilter:
def processLine(self, type, data):
return type, data
def processResidue(self, name, number, terminus):
return name, number
def processChain(self, chain_id, segment_id):
return chain_id, segment_id
def terminateChain(self):
pass
#
# XPlor export filter
import string
class XPlorExportFilter(PDBExportFilter):
xplor_atom_names = {' OXT': 'OT2'}
def processLine(self, type, data):
if type == 'TER':
return None, data
if type == 'ATOM' or type == 'HETATM' or type == 'ANISOU':
name = self.xplor_atom_names.get(data['name'], data['name'])
data['name'] = name
return type, data
export_filters = {'xplor': XPlorExportFilter}
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