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