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CONTENTS VOLUME 3
- APPENDIX 1 - BIT SCREENS
- APPENDIX 2 - CHEMICAL CLASSES
- APPENDIX 3 - JOURNAL NAMES
- APPENDIX 4 - CCDC JOURNAL CODENS
- APPENDIX 5 - INTERNATIONAL CODENS
- APPENDIX 6 - SPACE GROUP SYMBOLS
- APPENDIX 7 - SPACE GROUP NUMBERS
- APPENDIX 8 - THE GROUPS SUB-MENU
- APPENDIX 9 - TEMPLATES
- APPENDIX 10 - STANDARD ELEMENTAL RADII
- APPENDIX 11 - TYPING MENU COMMANDS
- APPENDIX 12 - NOTES FOR VAX/VMS USERS
- APPENDIX 13 - NOTES FOR UNIX USERS
- APPENDIX 14 - TROUBLE SHOOTING
- APPENDIX 15 - FILE FORMATS
- APPENDIX 16 - RESIDUE CODE SYMBOLS
- Compound-name bit screens (set .TRUE. if any text pair present)
- Author-name bit screens (set .TRUE. if any text pair present)
- Chemical connectivity bit screens (set .TRUE. if item is present)
- Notes
- (A) Bonded Elements [no. of connected atoms (nca) >= 1]
- (B) Element Counts [bonded elements]
- (C) Simple Connections [bond type unspecified (any) denoted "A"]
- (D) Bond Types [+=acyclic,=cyclic, S=saturated, U=unsaturated]
- (E) Bonded Pairs [bond type specified]
- (F) Bonded triplets [any bond type denoted "A"]
- (G) Bonded triplets [any bond type, both cyclic:-n]
- (H) Bonded triplets [bond types S= +/- 1,6, Un as above]
- (I) Atom centred fragments
- (J) Aromatic sequences [X=any non-H atom, *=aromatic bond]
- (K) Bond centred fragments [bond types unspecified, denoted "A"]
- (L) Fragments and bond type sequences centred on C-C bond [C-C is S= +/- 1,U1= +/- 2,3,4,5,7]
- (M) Atomic charges
- (N) Bond counts over all bonded residues
- (O) Miscellaneous ring screens [not dependent on full ring analysis]
- (P) Ring Screens
- (RA) Ring size [Open or Envelope]
- (RB) Ring size [Open rings only]
- (RC) Ring size [Envelope rings only]
- (RD) Ring size [Carbocyclic rings, Open or Envelope]
- (RE) Ring size [Heterocyclic rings, Open or Envelope]
- (RF) Ring size [Aromatic rings, Open or Envelope]
- (RG) Special
- (RH) Ring Assemblies
- (RI) 5-Membered rings: specific codes [A5, Open or Envelope]
- (RJ) 6-Membered rings: specific codes [Open or Envelope]
- (RK) 5-or 6-Membered rings: specific codes
- (RL) 3,4,7,8-Membered rings [Open or Envelope]
- (RM) 9-Membered rings and higher [Open or Envelope]
- (RN) Miscellaneous codes for specific rings
- (RO) Ring assemblies: bond sharing