- Page 1 and 2: OEChem - Python Theory Manualversio
- Page 3 and 4: CONTENTS1 Python 11.1 A Bit About L
- Page 5 and 6: 15.1 Atom Stereochemistry . . . . .
- Page 8: 230.1 Normalization . . . . . . . .
- Page 11 and 12: 1.4. Installing Python from Source
- Page 13 and 14: 2.3. Getting Started with OEChem Mo
- Page 15 and 16: CHAPTERTHREEManipulating Molecules3
- Page 17 and 18: 3.4. Generating a SMILES from a Mol
- Page 19 and 20: CHAPTERFOURReading and Writing Mole
- Page 21 and 22: 4.3. Molecular File Formats 13Note
- Page 24 and 25: 16 Chapter 4. Reading and Writing M
- Page 26 and 27: CHAPTERFIVEProperties of Molecules5
- Page 28 and 29: 20 Chapter 5. Properties of Molecul
- Page 30 and 31: 22 Chapter 5. Properties of Molecul
- Page 34 and 35: CHAPTERSIXOEMols and OEGraphMols6.1
- Page 36 and 37: 28 Chapter 6. OEMols and OEGraphMol
- Page 38 and 39: 30 Chapter 6. OEMols and OEGraphMol
- Page 40 and 41: 32 Chapter 6. OEMols and OEGraphMol
- Page 42 and 43: 34 Chapter 7. Traversing the Atoms
- Page 44 and 45: 36 Chapter 7. Traversing the Atoms
- Page 46 and 47: CHAPTEREIGHTProperties of Atoms8.1
- Page 48 and 49: 40 Chapter 8. Properties of Atoms8.
- Page 50 and 51: 42 Chapter 8. Properties of Atoms8.
- Page 52 and 53: CHAPTERNINEProperties of Bonds9.1 S
- Page 54 and 55: CHAPTERTENAtom, Bond and Conformer
- Page 56 and 57: 48 Chapter 11. Creating Atoms, Bond
- Page 58 and 59: 50 Chapter 11. Creating Atoms, Bond
- Page 60 and 61: CHAPTERTWELVEConnectivity Processin
- Page 62 and 63: CHAPTERTHIRTEENRing Processing13.1
- Page 64 and 65: 56 Chapter 13. Ring Processing13.6
- Page 66 and 67: CHAPTERFOURTEENAromaticity Processi
- Page 68 and 69: 60 Chapter 15. Stereochemistry Proc
- Page 70 and 71: 62 Chapter 16. Atom and Bond Typing
- Page 72 and 73: 64 Chapter 16. Atom and Bond Typing
- Page 74 and 75: 66 Chapter 17. Formal and Partial C
- Page 76 and 77: CHAPTEREIGHTEENPattern MatchingOECh
- Page 78 and 79: 70 Chapter 18. Pattern MatchingThe
- Page 80 and 81: 72 Chapter 18. Pattern MatchingFigu
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74 Chapter 18. Pattern MatchingScor
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76 Chapter 18. Pattern MatchingFigu
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78 Chapter 18. Pattern MatchingFigu
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80 Chapter 18. Pattern MatchingFigu
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82 Chapter 19. Coordinate HandlingI
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84 Chapter 19. Coordinate Handling1
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86 Chapter 19. Coordinate HandlingO
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88 Chapter 20. Logging and Error Ha
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90 Chapter 21. Periodic Table Funct
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CHAPTERTWENTYTWOPredicate Functions
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94 Chapter 22. Predicate Functions2
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CHAPTERTWENTYTHREEMolecular File Fo
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98 Chapter 23. Molecular File Forma
- Page 108 and 109:
100 Chapter 23. Molecular File Form
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102 Chapter 24. Miscellaneous Utili
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104 Chapter 25. The SMILES Line Not
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106 Chapter 26. Biopolymer Residues
- Page 116 and 117:
108 Chapter 26. Biopolymer Residues
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110 Chapter 26. Biopolymer Residues
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CHAPTERTWENTYSEVENValence ModelsThi
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114 Chapter 27. Valence ModelsNitro
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CHAPTERTWENTYEIGHTSMARTS Pattern Ma
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118 Chapter 29. SMARTS Pattern Matc
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120 Chapter 30. Reactionsethanediam
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122 Chapter 30. Reactions1 #!/usr/b
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CHAPTERTHIRTYONELicense handlingWit
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126 Chapter 32. OEChem Class Hierar
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CHAPTERTHIRTYTHREEBibliography1. Sh
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CHAPTERTHIRTYFOURRelease Notes34.1
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132 Chapter 34. Release Notes2. The
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134 Chapter 34. Release Notes6. Mem
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136 Chapter 34. Release Notes34.2.3
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138 Chapter 34. Release Notes34.4.2
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140 Chapter 34. Release Notes34.5.2
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142 Chapter 34. Release NotesMajor
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144 Chapter 34. Release Notes34.7.2
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146 Chapter 34. Release Notes7. Imp
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148 Chapter 34. Release Notes34.7.5
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150 Chapter 34. Release Notes9. The
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152 Chapter 34. Release Notes34.9.2
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154 Chapter 34. Release Notes14. Th
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156 Chapter 34. Release Notes34.9.5
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158 Chapter 34. Release Notes7. Fix
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160 Chapter 34. Release NotesMinor
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162 Chapter 34. Release Notes18. Im
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164 Chapter 34. Release NotesMajor
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166 Chapter 34. Release Notes6. Mod
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INDEXAAddContraint, 71API, 26, 27,