More Science, Less Time

PyDaylight lets you do more science in less time. Built using the Python programming language, this interface to the Daylight toolkit can cut development time by over a factor of four without any loss in flexibility.

To learn more about why you should use PyDaylight, attend the talk on Thursday.

Also, try these examples in the breakout room at MUG 2000.
Try them out!
Count the number of lines in stdin
Count the number of lines and words in string
Print the canonical SMILES of a SMILES string
Simple cansmi
Cansmi with error checking
Cansmi with isomeric flag and noncanonical check
Turning cansmi into a function ...
... and the main driver
SMARTS filter
Working with Molecules
Cycle Information
Molecular Editing - making explicit hydrogens
Depictions on a Tk canvas
Or, in PIL (the Python Imaging Library)
Thor ping
Thor ls, long listing format
List Aliases in a Thor Database
Pretty print TDTs from a $SMI
Searching Merlin
Find top 10 similar compounds in Merlin (part 1/ 2)
Find top 10 similar compounds in Merlin (part 2/ 2)
MCL to PyDaylight Compiler
Other resources.

Andrew Dalke
Last modified: Tue Feb 22 00:11:53 MST 2000