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PRODRG Text Drawings

With a bit of practice, text drawings allow to rapidly sketch out arbitrary small molecules to be used as input for PRODRG. A few example drawings:


         O   O          N               N           O
         |   |          |               "           "
       O=C O C=O      N=C-C-N=C       N-C-N-C-C-C-C-C-N-C-C
         | | |        |   "   |                   |   |   |
         C-C-C        C=N-C-N--                   N-C-C---C 
           |                                        "
           C=O                                      O
           | 
           O
                
       (Citrate)      (Adenine)           (cyc-Arg-Pro)

The rules are as follows:

  • In general, all atom names should be in uppercase
  • Use -,| for single, =," for double and # for triple bonds
  • Bonds running past an atom should be removed from it be at least one space, i.e. the following is invalid:
       O
       |
    C-C| 
    |  |
    C--C
      
  • Diagonal connections are not allowed, i.e. the following won't work:
    O   O
     \ /
      C
      
  • Bonds can be as long as you want and can contain several turns (because of the separation requirement, - and | are completely interchangeable, as are = and ")
    O------                                O--|||-
          |                                      -
    ----- |   is awkward, but              ||||| -
    |   | |   perfectly fine, and          |   | -
    | C-- |   it is equivalent to:         | C-- -
    |     |                                |     -
    -------                                |----||
      
  • You can invert the chirality of an atom by using a lowercase symbol
      Cl              Cl
      |               |
    C-C-O    and    C-c-O    are stereoisomers.
      |               |
      Br              Br
      
  • PRODRG currently only supports N, C, O, S, P, Cl, I, Br and F atoms
  • Do not include hydrogen atoms in your input, they will just be ignored
      H H H
      | | |
    H-C-C-C-H   is the same as   C-C-C
      | | |
      H H H
      

Charlie Bond wrote a nice XEmacs script for making these text-drawings, which can be downloaded here. This script will let you use XEmacs to draw bonds and point-'n-place atoms.