Changeset 2819 for trunk/exports/G2export_PDB.py
- Timestamp:
- May 4, 2017 9:14:19 AM (6 years ago)
- File:
-
- 1 edited
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trunk/exports/G2export_PDB.py
r1299 r2819 134 134 General = phasedict['General'] 135 135 if General['Type'] != 'macromolecular': 136 print 'phase '+ str(phasenam)+' not macromolecular, skipping'136 print 'phase '+phasenam+' not macromolecular, skipping' 137 137 continue 138 138 i = self.Phases[phasenam]['pId'] … … 197 197 self.Write('END') 198 198 self.CloseFile() 199 print('Phase '+ str(phasenam)+' written to PDB file '+str(self.fullpath))199 print('Phase '+phasenam+' written to PDB file '+self.fullpath) 200 200 201 201 class ExportPhaseCartXYZ(G2IO.ExportBaseclass): … … 232 232 Atoms = phasedict['Atoms'] 233 233 if not len(Atoms): 234 print('**** ERROR - Phase '+ str(phasenam)+' has no atoms! ****')234 print('**** ERROR - Phase '+phasenam+' has no atoms! ****') 235 235 continue 236 236 if len(self.phasenam) > 1: # if more than one filename is included, add a phase # … … 247 247 self.Write(fmt.format(atom[ct],*xyz)) 248 248 self.CloseFile() 249 print('Phase '+ str(phasenam)+' written to XYZ file '+str(self.fullpath))249 print('Phase '+phasenam+' written to XYZ file '+self.fullpath) 250 250
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