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.
