Split molecule file¶
A program that splits molecule file into N chunks or chunks of size N. Number of chunks (-num) or the size of each chunk (-size) must be specified and are mutually exclusive. By default the program splits molecule file by number of conformers not molecules. This can be changed by setting the flag -confs to false.
prompt> MolChunk -num 3 -i drugs.sdf -o foo.sdf prompt> MolChunk -confs false -size 20 -i conftest.sdf -o foo.sdf