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- ; Abbreviation File for MWTWIN program
- ;
- ; Comments may be added by preceding with a semicolon
- ; Two group headings must exist: [AMINO ACIDS] and [ABBREVIATIONS]
- ; Abbreviations may be added; simply type the abbreviation and molecular
- ; formula under the appropriate column in either section
- ; Note: Only the first letter of an abbreviation is allowed to be capitalized
- ; Note: Elements MUST be properly capitalized; eg. na is incorrect, use Na
- ; Note: Parentheses and dashes are NOT allowed; eg. CH3(CH2)2 is incorrect
- ; use C3H7 or CH3CH2CH2
- ; The abbreviations in the Amino Acid section are treated as extended level
- ; abbreviations: they are only recognized when extended abbreviations are on
- ; If this file becomes corrupted, the MWTWIN program will inform the user
- ; and ignore incorrect lines
- ; If this file becomes deleted, the MWTWIN program will create a new file
- ; with the default abbreviations
- ;
- ; Default Amino Acids are in their ionic form
- ; Amino Acid abbreviations may be up to 6 characters long
- ; It is strongly advised that longer abbreviations be placed first
- [AMINO ACIDS]
- Ala C3H5NO ; Alanine
- Arg C6H12N4O ; Arginine, (unprotonated NH2)
- Asn C4H6N2O2 ; Asparagine
- Asp C4H5NO3 ; Aspartic acid (undissociated COOH)
- Cys C3H5NOS ; Cysteine (no disulfide link)
- Gln C5H8N2O2 ; Glutamine
- Glu C5H7NO3 ; Glutamic acid (undissociated COOH)
- Gly C2H3NO ; Glycine
- His C6H7N3O ; Histidine (unprotonated NH)
- Hyp C5H7NO2 ; Hydroxyproline
- Ile C6H11NO ; Isoleucine (same as Leucine)
- Leu C6H11NO ; Leucine (same as Isoleucine)
- Lys C6H12N2O ; Lysine (unprotonated NH2)
- Met C5H9NOS ; Methionine
- Phe C9H9NO ; Phenylalanine
- Pro C5H7NO ; Proline
- Ser C3H5NO2 ; Serine
- Thr C4H7NO2 ; Threonine
- Trp C11H10N2O ; Tryptophan
- Tyr C9H9NO2 ; Tyrosine
- Val C5H9NO ; Valine
-
- ; Normal abbreviations may be up to 6 characters long
- ; It is strongly advised that longer abbreviations be placed first
- [ABBREVIATIONS]
- Phen C12H8N2 ; Phenanthroline
- Urea CON2H4 ; Urea, H2NCONH2
- Bpy C10H8N2 ; Bipyridine
- Oac C2H3O2 ; Acetate
- Otf CO3SF3 ; Triflate, OSO2CF3
- Tpp C44H28N4 ; Tetraphenylporphyrin, (C4H2N(C6H5C)C4H2N(C6H5C))2, mw 612.733
- Bu C4H9 ; Butyl
- En C2H8N2 ; Ethylenediamine, H2NCH2CH2NH2
- Et C2H5 ; Ethyl, CH3CH2
- Me CH3 ; Methyl
- Ms CH3SO2 ; Mesyl, CH3SOO
- Ox C2O4 ; Oxalate
- Ph C6H5 ; Phenyl
- Py C5H5N ; Pyridine
- Ts C7H7SO2 ; Tosyl, CH3C6H4SOO
- D H2 ; Deuterium
-