Filter molecules by SD data

A program that can filter a database of molecules based on SD tags. Any SD tag that contains numerical data can be used. Flags are: -tag, the SD tag to use, -min, the minimum value of the tag, -max, the maximum value of the tag. The program formats are limited to those that can have SD data i.e. SDF, OEB, and CSV.

Example

prompt > sdfilter -tag LOGD -min -2 -max 5 -i input.sdf -o output.oeb.gz

Code

Download code

sdfilter.cpp

See also

• OEHasSDData function

• OEGetSDData function

• OEStringToNumber function