® to perform conversions within the Oracle environment.H

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User's Manual
Conversion Package
Conversion between MDL and Daylight

The Daylight Conversion Package is a set of programs which can convert molecules and reactions in MDL formats to and from Daylight formats. The package is also used to convert queries and transformations to Daylight format. This functionality is available as a command-line application, as a web service, and is integrated with DayCart® to perform conversions within the Oracle environment.

  • MDL formats accepted include MOLfiles, SDfiles, RGfiles, RXNfiles and RDfiles (v2000 format only)

  • Daylight formats accepted include unique SMILESTM, absolute SMILESTM, and THOR data trees (TDTs)

  • MDL files containing query features, including R-group queries, may be converted to SMARTS®

  • MDL files containing transforms may be converted to SMIRKS® format

  • High Performance with conversion rates of ~35K drug-like molecules per minute

  • High Accuracy with Daylight to MDL to Daylight conversions better than 99.99% accurate for most large data sets of molecules