Write molecular properties to a CSV file¶
The molecular properties calculated by OEFilter can be
written to a file in the OEFormat.CSV format as described
in the CSV File Format section. Every property specified in
the filter file will be writtern in the tabular file.
Command Line Interface¶
A description of the command line interface can be obtained by executing the program with the –help argument.
prompt> MolPropCSV --help
will generate the following output:
Simple parameter list
filter options :
-filtertype : filter type
input/output options :
-in : Input filename
-out : Output filename
other options :
-verbose : Error level of messages
Code¶
Download code
See also
OEFilterclassOEConfigureFilterParamsandOEConfigureFilterTypefunctionsOEWritePropertyDataToCSVfunction
Examples¶
prompt> MolPropCSV -in drugs.sdf -out out_drugs.csv -filtertype Lead