last_lines.py

last_lines.py

			if tag == "ENDMDL" or tag=="END" or tag == "MODEL" and (tmpPDBmodelID in tmpPDBmodelImportOrder):
				# We add a new MODEL entry to the global pdbIDmodelsDictionary[pdbID],
				# based on the current MODEL ID, and we assign the tmpPDBmodelDictionary to this entry.

				if not (tag == 'END'):
					(pdbIDmodelsDictionary[pdbID])[tmpPDBmodelID] = tmpPDBmodelDictionary
				else:
					# ugly test: run through the file again and 
					# look at the last 2 lines.
					# if the current tag is END and the last 2 lines are
					# TER, END. or 'MASTER and END' then the format is all ATOMs and no MODEL.
					with open(filePath,"r") as sfile:
						lines = [l[:3] for l in sfile if l.strip()][-2:]
						lines = '|'.join(lines)
						if lines in {'TER|END', 'MAS|END'}:
							(pdbIDmodelsDictionary[pdbID])[tmpPDBmodelID] = tmpPDBmodelDictionary

				''' f test '''
				f = (pdbIDmodelsDictionary[pdbID])[tmpPDBmodelID]
				print('tmpPDBmodelID', tmpPDBmodelID, ':', len(f))

				# So now pdbIDmodelsDictionary[pdbID] is a Dictionary: model-dict; the second dict is [atomName]-BBInfo
				tmpPDBmodelDictionary = {}